4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C19H27N3O3 — CID 42579542

IUPAC4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1)NC1CCCCC1
InChIInChI=1S/C19H27N3O3/c23-18(20-13-17-7-4-12-25-17)14-8-10-16(11-9-14)22-19(24)21-15-5-2-1-3-6-15/h8-11,15,17H,1-7,12-13H2,(H,20,23)(H2,21,22,24)/t17-/m1/s1
InChIKeyQBFDXCDXQLLLMO-QGZVFWFLSA-N
MW345.44 g/mol
LogP3.05
Rot. Bonds5

About 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 42579542) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID42579542
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1)NC1CCCCC1
InChIInChI=1S/C19H27N3O3/c23-18(20-13-17-7-4-12-25-17)14-8-10-16(11-9-14)22-19(24)21-15-5-2-1-3-6-15/h8-11,15,17H,1-7,12-13H2,(H,20,23)(H2,21,22,24)/t17-/m1/s1
InChIKeyQBFDXCDXQLLLMO-QGZVFWFLSA-N
XLogP3.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-[[2-(cyclohexylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54816576
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54843811
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 42579542) is 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is QBFDXCDXQLLLMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(20-13-17-7-4-12-25-17)14-8-10-16(11-9-14)22-19(24)21-15-5-2-1-3-6-15/h8-11,15,17H,1-7,12-13H2,(H,20,23)(H2,21,22,24)/t17-/m1/s1.
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 42579542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).