2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide

C21H34N4O2 — CID 110036519

IUPAC2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(CC(C)CN/C(=N\CC(=O)N(C)C)NC2CCCC2)cc1
InChIInChI=1S/C21H34N4O2/c1-16(13-17-9-11-19(27-4)12-10-17)14-22-21(23-15-20(26)25(2)3)24-18-7-5-6-8-18/h9-12,16,18H,5-8,13-15H2,1-4H3,(H2,22,23,24)
InChIKeyWEVDPCGQIBGDEN-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.44
Rot. Bonds8

About 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110036519) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110036519
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(CC(C)CN/C(=N\CC(=O)N(C)C)NC2CCCC2)cc1
InChIInChI=1S/C21H34N4O2/c1-16(13-17-9-11-19(27-4)12-10-17)14-22-21(23-15-20(26)25(2)3)24-18-7-5-6-8-18/h9-12,16,18H,5-8,13-15H2,1-4H3,(H2,22,23,24)
InChIKeyWEVDPCGQIBGDEN-UHFFFAOYSA-N
XLogP2.44
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-[2-[(3R,6S)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]propanamide
CID 16195650
(E)-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-2-methylbut-2-enamide
CID 16195651
3-cyclohexyl-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]propanamide
CID 16195652
3-cyclohexyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]propanamide
CID 16195677
3-cyclohexyl-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]propanamide
CID 16195691
(E)-N-[(2S)-1-[(3S,6R)-6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]-2-methylbut-2-enamide
CID 16745335
(E)-N-[2-[(3R,6S)-3-benzyl-6-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-2-methylbut-2-enamide
CID 23640764
9-(2-ethylhexyl)-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-purin-6-one
CID 155568588
(2R)-2-[[amino-[[2-(2-fluoro-4-methoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 90285706
(2R)-2-[[amino-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 90285834
(E)-N-[2-[(3R,6S)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-2-methylbut-2-enamide
CID 16195675
3-cyclohexyl-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-(phenylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]propanamide
CID 16195624

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110036519) is 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide is COc1ccc(CC(C)CN/C(=N\CC(=O)N(C)C)NC2CCCC2)cc1.
What is the InChIKey of 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is WEVDPCGQIBGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-16(13-17-9-11-19(27-4)12-10-17)14-22-21(23-15-20(26)25(2)3)24-18-7-5-6-8-18/h9-12,16,18H,5-8,13-15H2,1-4H3,(H2,22,23,24).
What are the key properties of 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 374.53 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).