5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide

C31H39N3O7 — CID 146199585

IUPAC5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide
SMILESCCCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)NCNC(=O)c1ccc(-c2cc(OC)ccc2OC)o1
InChIInChI=1S/C31H39N3O7/c1-4-5-6-10-13-24(19-34(22-35)40-20-23-11-8-7-9-12-23)30(36)32-21-33-31(37)29-17-16-28(41-29)26-18-25(38-2)14-15-27(26)39-3/h7-9,11-12,14-18,22,24H,4-6,10,13,19-21H2,1-3H3,(H,32,36)(H,33,37)/t24-/m1/s1
InChIKeyIMOAJLFKLHOOCZ-XMMPIXPASA-N
MW565.67 g/mol
LogP4.94
Rot. Bonds18

About 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide

5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide (PubChem CID 146199585) has the molecular formula C31H39N3O7 and a molecular weight of 565.67 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide
PubChem CID146199585
Molecular FormulaC31H39N3O7
Molecular Weight565.67 g/mol
Exact Mass565.28
IUPAC Name5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide
SMILESCCCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)NCNC(=O)c1ccc(-c2cc(OC)ccc2OC)o1
InChIInChI=1S/C31H39N3O7/c1-4-5-6-10-13-24(19-34(22-35)40-20-23-11-8-7-9-12-23)30(36)32-21-33-31(37)29-17-16-28(41-29)26-18-25(38-2)14-15-27(26)39-3/h7-9,11-12,14-18,22,24H,4-6,10,13,19-21H2,1-3H3,(H,32,36)(H,33,37)/t24-/m1/s1
InChIKeyIMOAJLFKLHOOCZ-XMMPIXPASA-N
XLogP4.94
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]amino]methyl]furan-2-carboxamide
CID 122699029
5-bromo-N-[[2-[[formyl(phenylmethoxy)amino]methyl]heptanoylamino]methyl]furan-2-carboxamide
CID 118225866
5-(3-cyanophenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]amino]methyl]furan-2-carboxamide
CID 118229730
N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]amino]methyl]-5-(6-methoxy-2-pyridinyl)furan-2-carboxamide
CID 118230838
N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]amino]methyl]-5-[3-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 118230978
N-[[2-[[formyl(phenylmethoxy)amino]methyl]heptanoylamino]methyl]-5-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 122699079
N-[[[2-[[formyl(phenylmethoxy)amino]methyl]-4-phenylbutanoyl]amino]methyl]-5-phenylfuran-2-carboxamide
CID 122698986
2-[[formyl(phenylmethoxy)amino]methyl]-N-[[1-[5-[3-(2-oxopropyl)phenyl]furan-2-yl]ethenylamino]methyl]heptanamide
CID 144883839
5-[5-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]-2-methoxybenzoic acid
CID 118226239
N-[[[2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]amino]methyl]-5-phenylfuran-2-carboxamide
CID 122699037
5-(3-ethoxy-5-hydroxyphenyl)-N-[[2-[(1R)-1-[formyl(phenylmethoxy)amino]propyl]heptanoylamino]methyl]furan-2-carboxamide
CID 122699085
3-(3-ethenylphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]amino]methyl]benzamide
CID 145227985

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide (CID 146199585) is 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide is CCCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)NCNC(=O)c1ccc(-c2cc(OC)ccc2OC)o1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide?
The InChIKey is IMOAJLFKLHOOCZ-XMMPIXPASA-N. The full InChI is InChI=1S/C31H39N3O7/c1-4-5-6-10-13-24(19-34(22-35)40-20-23-11-8-7-9-12-23)30(36)32-21-33-31(37)29-17-16-28(41-29)26-18-25(38-2)14-15-27(26)39-3/h7-9,11-12,14-18,22,24H,4-6,10,13,19-21H2,1-3H3,(H,32,36)(H,33,37)/t24-/m1/s1.
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide?
5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide has a molecular weight of 565.67 g/mol, XLogP of 4.94, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]octanoyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 146199585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).