[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate

C23H27NO4 — CID 54173169

IUPAC[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
SMILESCOc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CCC[C@@H](OC(C)=O)C1
InChIInChI=1S/C23H27NO4/c1-17(25)28-19-11-8-14-23(15-19,18-9-4-3-5-10-18)16-24-22(26)20-12-6-7-13-21(20)27-2/h3-7,9-10,12-13,19H,8,11,14-16H2,1-2H3,(H,24,26)/t19-,23-/m1/s1
InChIKeyOWLFMJKRRPKHCN-AUSIDOKSSA-N
MW381.47 g/mol
LogP3.87
Rot. Bonds6

About [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate

[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate (PubChem CID 54173169) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
PubChem CID54173169
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
SMILESCOc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CCC[C@@H](OC(C)=O)C1
InChIInChI=1S/C23H27NO4/c1-17(25)28-19-11-8-14-23(15-19,18-9-4-3-5-10-18)16-24-22(26)20-12-6-7-13-21(20)27-2/h3-7,9-10,12-13,19H,8,11,14-16H2,1-2H3,(H,24,26)/t19-,23-/m1/s1
InChIKeyOWLFMJKRRPKHCN-AUSIDOKSSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
CID 54069418
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182
N-[[(3aS,5R)-3-methoxy-5-phenyl-4,6,7,7a-tetrahydro-3aH-1,2-benzoxazol-5-yl]methyl]-2-methoxybenzamide
CID 11668360
2-methoxy-N-[2-(1-phenylcyclohexyl)ethyl]benzamide
CID 18449642
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline
CID 142271382
2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
CID 70829537
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate?
The IUPAC name of [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate (CID 54173169) is [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate.
What is the SMILES notation for [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate?
The canonical SMILES for [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate is COc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CCC[C@@H](OC(C)=O)C1.
What is the InChIKey of [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate?
The InChIKey is OWLFMJKRRPKHCN-AUSIDOKSSA-N. The full InChI is InChI=1S/C23H27NO4/c1-17(25)28-19-11-8-14-23(15-19,18-9-4-3-5-10-18)16-24-22(26)20-12-6-7-13-21(20)27-2/h3-7,9-10,12-13,19H,8,11,14-16H2,1-2H3,(H,24,26)/t19-,23-/m1/s1.
What are the key properties of [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate?
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate has a molecular weight of 381.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate is sourced from PubChem (CID 54173169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).