4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid

C20H27NO4 — CID 129467722

IUPAC4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H27NO4/c22-19(16-8-10-17(11-9-16)20(23)24)21(14-18-7-4-12-25-18)13-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,23,24)/t16?,17?,18-/m1/s1
InChIKeyBDQITHNLWLGPBI-DAWZGUTISA-N
MW345.44 g/mol
LogP3.09
Rot. Bonds6

About 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 129467722) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID129467722
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H27NO4/c22-19(16-8-10-17(11-9-16)20(23)24)21(14-18-7-4-12-25-18)13-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,23,24)/t16?,17?,18-/m1/s1
InChIKeyBDQITHNLWLGPBI-DAWZGUTISA-N
XLogP3.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid 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

(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94641042
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
4-[2-(4-methylphenyl)ethyl-(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673914
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
(1R,2S,4R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98790853
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 75390609
(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 124507400
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 129467722) is 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1.
What is the InChIKey of 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BDQITHNLWLGPBI-DAWZGUTISA-N. The full InChI is InChI=1S/C20H27NO4/c22-19(16-8-10-17(11-9-16)20(23)24)21(14-18-7-4-12-25-18)13-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,23,24)/t16?,17?,18-/m1/s1.
What are the key properties of 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129467722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).