1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide

C20H29N3O3 — CID 7441648

IUPAC1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1
InChIInChI=1S/C20H29N3O3/c24-18(21-15-17-10-7-13-26-17)20(11-5-2-6-12-20)23-19(25)22-14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,24)(H2,22,23,25)/t17-/m0/s1
InChIKeyGXCARENKVWLPKV-KRWDZBQOSA-N
MW359.47 g/mol
LogP2.48
Rot. Bonds6

About 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide

1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 7441648) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID7441648
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1
InChIInChI=1S/C20H29N3O3/c24-18(21-15-17-10-7-13-26-17)20(11-5-2-6-12-20)23-19(25)22-14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,24)(H2,22,23,25)/t17-/m0/s1
InChIKeyGXCARENKVWLPKV-KRWDZBQOSA-N
XLogP2.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-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'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
CID 110676481
1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 120944373
1-benzyl-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
CID 2448710
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylbenzoic acid
CID 119219361
1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 95135685
4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119239094

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide (CID 7441648) is 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide is O=C(NCc1ccccc1)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is GXCARENKVWLPKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-18(21-15-17-10-7-13-26-17)20(11-5-2-6-12-20)23-19(25)22-14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,24)(H2,22,23,25)/t17-/m0/s1.
What are the key properties of 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 7441648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).