1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

C22H34N4O2 — CID 126450569

IUPAC1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1
InChIInChI=1S/C22H34N4O2/c1-23-20(27)22(12-6-3-7-13-22)25-21(28)24-14-10-19-11-15-26(17-19)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3,(H,23,27)(H2,24,25,28)/t19-/m1/s1
InChIKeyGKZKSFVTISUGDL-LJQANCHMSA-N
MW386.54 g/mol
LogP2.65
Rot. Bonds7

About 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (PubChem CID 126450569) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
PubChem CID126450569
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1
InChIInChI=1S/C22H34N4O2/c1-23-20(27)22(12-6-3-7-13-22)25-21(28)24-14-10-19-11-15-26(17-19)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3,(H,23,27)(H2,24,25,28)/t19-/m1/s1
InChIKeyGKZKSFVTISUGDL-LJQANCHMSA-N
XLogP2.65
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide 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

N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
1-[2-(1-benzylpyrrolidin-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 118770726
1-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 125157500
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 97226935
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125171754
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
CID 125169754
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
1-benzyl-3-propylpyrrolidine
CID 12648211
1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide
CID 95218861

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (CID 126450569) is 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(NC(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1.
What is the InChIKey of 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GKZKSFVTISUGDL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-23-20(27)22(12-6-3-7-13-22)25-21(28)24-14-10-19-11-15-26(17-19)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3,(H,23,27)(H2,24,25,28)/t19-/m1/s1.
What are the key properties of 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 126450569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).