2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide

C27H34N4O2 — CID 69416465

IUPAC2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide
SMILESN#CC1(NC(=O)C(N)CC2CCCCC2)CCN(Cc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C27H34N4O2/c28-19-27(30-26(32)24(29)17-21-9-3-1-4-10-21)15-16-31(20-27)18-22-11-7-8-14-25(22)33-23-12-5-2-6-13-23/h2,5-8,11-14,21,24H,1,3-4,9-10,15-18,20,29H2,(H,30,32)
InChIKeyJNAXPUKICLDXAV-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.36
Rot. Bonds8

About 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide

2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide (PubChem CID 69416465) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide
PubChem CID69416465
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide
SMILESN#CC1(NC(=O)C(N)CC2CCCCC2)CCN(Cc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C27H34N4O2/c28-19-27(30-26(32)24(29)17-21-9-3-1-4-10-21)15-16-31(20-27)18-22-11-7-8-14-25(22)33-23-12-5-2-6-13-23/h2,5-8,11-14,21,24H,1,3-4,9-10,15-18,20,29H2,(H,30,32)
InChIKeyJNAXPUKICLDXAV-UHFFFAOYSA-N
XLogP4.36
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide 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

2-amino-N-[3-cyano-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69418520
2-amino-N-[3-cyano-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69420315
2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69415760
ethyl 4-[(2-amino-3-cyclohexylpropanoyl)amino]-4-cyanopiperidine-1-carboxylate;hydrochloride
CID 69415923
N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide
CID 141163058
[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide
CID 154451739
N-[1-[[3-cyano-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260441
N-(1-benzyl-3-cyanopyrrolidin-3-yl)-2-(cyclohexylmethyl)-4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide
CID 18768959
N-[3-cyano-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 18768952
N-[1-[(1-benzyl-3-cyanoazetidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260421
N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-2-(isoquinolin-1-ylamino)-4,4-dimethylpentanamide
CID 91496586
tert-butyl N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamate
CID 69415751

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide?
The IUPAC name of 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide (CID 69416465) is 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide?
The canonical SMILES for 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide is N#CC1(NC(=O)C(N)CC2CCCCC2)CCN(Cc2ccccc2Oc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide?
The InChIKey is JNAXPUKICLDXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c28-19-27(30-26(32)24(29)17-21-9-3-1-4-10-21)15-16-31(20-27)18-22-11-7-8-14-25(22)33-23-12-5-2-6-13-23/h2,5-8,11-14,21,24H,1,3-4,9-10,15-18,20,29H2,(H,30,32).
What are the key properties of 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide?
2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide has a molecular weight of 446.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 69416465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).