(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide

C28H46N4O3 — CID 59972940

IUPAC(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCC1(C)CCCC(N2CCC(C#N)(NC(=O)[C@@H](CC(=O)N3CCOCC3)CC3CCCCC3)C2)C1
InChIInChI=1S/C28H46N4O3/c1-27(2)10-6-9-24(19-27)32-12-11-28(20-29,21-32)30-26(34)23(17-22-7-4-3-5-8-22)18-25(33)31-13-15-35-16-14-31/h22-24H,3-19,21H2,1-2H3,(H,30,34)/t23-,24?,28?/m1/s1
InChIKeyYZKSERZWBQTQFD-QXIWCURZSA-N
MW486.70 g/mol
LogP3.87
Rot. Bonds7

About (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide

(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 59972940) has the molecular formula C28H46N4O3 and a molecular weight of 486.70 g/mol. Its IUPAC name is (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID59972940
Molecular FormulaC28H46N4O3
Molecular Weight486.70 g/mol
Exact Mass486.36
IUPAC Name(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCC1(C)CCCC(N2CCC(C#N)(NC(=O)[C@@H](CC(=O)N3CCOCC3)CC3CCCCC3)C2)C1
InChIInChI=1S/C28H46N4O3/c1-27(2)10-6-9-24(19-27)32-12-11-28(20-29,21-32)30-26(34)23(17-22-7-4-3-5-8-22)18-25(33)31-13-15-35-16-14-31/h22-24H,3-19,21H2,1-2H3,(H,30,34)/t23-,24?,28?/m1/s1
InChIKeyYZKSERZWBQTQFD-QXIWCURZSA-N
XLogP3.87
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.70
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide 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

(2R)-N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[(4-methylcyclohexyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 70078177
(2R)-N-[(3S)-3-cyano-1-[(1R,2R)-2-methylcyclohexyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 20601567
N-[3-cyano-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 18768952
N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260593
N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]propanamide
CID 22063285
(2R)-N-[(3S)-3-cyanopyrrolidin-3-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 70190059
2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 91319141
cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
CID 59066412
N-[3-cyano-1-[1H-indol-3-yl-(4-methylphenyl)sulfonylmethyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 18768951
4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
N-[1-[[3-cyano-1-(5,5-dimethyl-3-oxocyclohexen-1-yl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260507
N-[(3-cyanopyrrolidin-3-yl)-(3,3-dimethylbutyl)carbamoyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 70067679

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide (CID 59972940) is (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide is CC1(C)CCCC(N2CCC(C#N)(NC(=O)[C@@H](CC(=O)N3CCOCC3)CC3CCCCC3)C2)C1.
What is the InChIKey of (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is YZKSERZWBQTQFD-QXIWCURZSA-N. The full InChI is InChI=1S/C28H46N4O3/c1-27(2)10-6-9-24(19-27)32-12-11-28(20-29,21-32)30-26(34)23(17-22-7-4-3-5-8-22)18-25(33)31-13-15-35-16-14-31/h22-24H,3-19,21H2,1-2H3,(H,30,34)/t23-,24?,28?/m1/s1.
What are the key properties of (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 486.70 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 59972940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).