5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide

C54H70N6O10 — CID 143768189

IUPAC5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide
SMILESCC(=O)c1cn2c3c(c(C)ccc13)CCC2.CCCCCNC=O.CO.NCCCCC(=O)NOCc1ccccc1.O=C(O)C(=O)c1cn2c3c(cccc13)CCC2.O=CNOCc1ccccc1
InChIInChI=1S/C14H15NO.C13H11NO3.C12H18N2O2.C8H9NO2.C6H13NO.CH4O/c1-9-5-6-12-13(10(2)16)8-15-7-3-4-11(9)14(12)15;15-12(13(16)17)10-7-14-6-2-4-8-3-1-5-9(10)11(8)14;13-9-5-4-8-12(15)14-16-10-11-6-2-1-3-7-11;10-7-9-11-6-8-4-2-1-3-5-8;1-2-3-4-5-7-6-8;1-2/h5-6,8H,3-4,7H2,1-2H3;1,3,5,7H,2,4,6H2,(H,16,17);1-3,6-7H,4-5,8-10,13H2,(H,14,15);1-5,7H,6H2,(H,9,10);6H,2-5H2,1H3,(H,7,8);2H,1H3
InChIKeyYWCDQDQGFLUTGP-UHFFFAOYSA-N
MW963.19 g/mol
LogP7.71
Rot. Bonds19

About 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide

5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide (PubChem CID 143768189) has the molecular formula C54H70N6O10 and a molecular weight of 963.19 g/mol. Its IUPAC name is 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide.

Molecular Properties

Compound Name5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide
PubChem CID143768189
Molecular FormulaC54H70N6O10
Molecular Weight963.19 g/mol
Exact Mass962.52
IUPAC Name5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide
SMILESCC(=O)c1cn2c3c(c(C)ccc13)CCC2.CCCCCNC=O.CO.NCCCCC(=O)NOCc1ccccc1.O=C(O)C(=O)c1cn2c3c(cccc13)CCC2.O=CNOCc1ccccc1
InChIInChI=1S/C14H15NO.C13H11NO3.C12H18N2O2.C8H9NO2.C6H13NO.CH4O/c1-9-5-6-12-13(10(2)16)8-15-7-3-4-11(9)14(12)15;15-12(13(16)17)10-7-14-6-2-4-8-3-1-5-9(10)11(8)14;13-9-5-4-8-12(15)14-16-10-11-6-2-1-3-7-11;10-7-9-11-6-8-4-2-1-3-5-8;1-2-3-4-5-7-6-8;1-2/h5-6,8H,3-4,7H2,1-2H3;1,3,5,7H,2,4,6H2,(H,16,17);1-3,6-7H,4-5,8-10,13H2,(H,14,15);1-5,7H,6H2,(H,9,10);6H,2-5H2,1H3,(H,7,8);2H,1H3
InChIKeyYWCDQDQGFLUTGP-UHFFFAOYSA-N
XLogP7.71
TPSA233.31 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500963.19
LogP ≤ 57.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]ethanone
CID 91159895
1-[[3-[[4-Piperidin-1-yl-2-[4-[(2-propylphenyl)methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methyl]indole-4-carboxylic acid
CID 123406391
[9-Ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone
CID 153374740
2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxyhexanamide;chloro-[6-oxo-6-(phenylmethoxyamino)hexyl]azanide
CID 157164076
5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen
CID 157193525
4-[1-(1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carbonyl)piperidin-4-yl]butan-2-one;1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylic acid;4-piperidin-4-ylbutan-2-one
CID 157218801
2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
CID 157305258
1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylic acid;chloro-[8-oxo-8-(phenylmethoxyamino)octyl]azanide;N-[8-oxo-8-(phenylmethoxyamino)octyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxamide
CID 157339238
3-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethyl-5-[(4-methylbenzoyl)amino]benzamide;N-hydroxy-1-[[4-(hydroxymethyl)phenyl]methyl]indole-6-carboxamide;4-(2-methylidene-1,3-dihydropyrrol-4-yl)pyridine
CID 157581947
2-(3-acetylindol-1-yl)-N-(2-hydroxyethyl)-N-phenylacetamide;2-[[4-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-1-yl]amino]-N-(2-hydroxyethyl)-N-phenylacetamide;4-[2-(hydroxyamino)prop-2-enyl]-N-(2-hydroxyethyl)-N-phenylbenzamide;3-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]-N-methylpropanamide;N-(2-hydroxyethyl)-4-(3-oxopentyl)-N-phenylbenzamide;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide
CID 158047852
4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen
CID 158153917
1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylic acid;methyl 4-(aminomethyl)benzoate;methyl 4-[(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carbonylamino)methyl]benzoate
CID 158515332

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide?
The IUPAC name of 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide (CID 143768189) is 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide.
What is the SMILES notation for 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide?
The canonical SMILES for 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide is CC(=O)c1cn2c3c(c(C)ccc13)CCC2.CCCCCNC=O.CO.NCCCCC(=O)NOCc1ccccc1.O=C(O)C(=O)c1cn2c3c(cccc13)CCC2.O=CNOCc1ccccc1.
What is the InChIKey of 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide?
The InChIKey is YWCDQDQGFLUTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C13H11NO3.C12H18N2O2.C8H9NO2.C6H13NO.CH4O/c1-9-5-6-12-13(10(2)16)8-15-7-3-4-11(9)14(12)15;15-12(13(16)17)10-7-14-6-2-4-8-3-1-5-9(10)11(8)14;13-9-5-4-8-12(15)14-16-10-11-6-2-1-3-7-11;10-7-9-11-6-8-4-2-1-3-5-8;1-2-3-4-5-7-6-8;1-2/h5-6,8H,3-4,7H2,1-2H3;1,3,5,7H,2,4,6H2,(H,16,17);1-3,6-7H,4-5,8-10,13H2,(H,14,15);1-5,7H,6H2,(H,9,10);6H,2-5H2,1H3,(H,7,8);2H,1H3.
What are the key properties of 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide?
5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide has a molecular weight of 963.19 g/mol, XLogP of 7.71, 19 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-phenylmethoxypentanamide;2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetic acid;methanol;1-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone;N-pentylformamide;N-phenylmethoxyformamide is sourced from PubChem (CID 143768189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).