ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate

C17H22ClNO3 — CID 1481391

IUPACethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate
SMILESCCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCC1=O
InChIInChI=1S/C17H22ClNO3/c1-2-22-17(21)19-16(12-7-6-8-13(18)11-12)14-9-4-3-5-10-15(14)20/h6-8,11,14,16H,2-5,9-10H2,1H3,(H,19,21)/t14-,16-/m0/s1
InChIKeyVTSQWOUUCINPRV-HOCLYGCPSA-N
MW323.82 g/mol
LogP4.28
Rot. Bonds4

About ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate

ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate (PubChem CID 1481391) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate
PubChem CID1481391
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Nameethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate
SMILESCCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCC1=O
InChIInChI=1S/C17H22ClNO3/c1-2-22-17(21)19-16(12-7-6-8-13(18)11-12)14-9-4-3-5-10-15(14)20/h6-8,11,14,16H,2-5,9-10H2,1H3,(H,19,21)/t14-,16-/m0/s1
InChIKeyVTSQWOUUCINPRV-HOCLYGCPSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate 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

ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
(2S)-2-[(1R)-3-(3-chlorophenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 102230840
ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
CID 148697514
ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 55457285
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
CID 69089641
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8904824
ethyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexane-1-carboxylate
CID 104881605
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate?
The IUPAC name of ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate (CID 1481391) is ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate?
The canonical SMILES for ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate is CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCC1=O.
What is the InChIKey of ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate?
The InChIKey is VTSQWOUUCINPRV-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-2-22-17(21)19-16(12-7-6-8-13(18)11-12)14-9-4-3-5-10-15(14)20/h6-8,11,14,16H,2-5,9-10H2,1H3,(H,19,21)/t14-,16-/m0/s1.
What are the key properties of ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate?
ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate has a molecular weight of 323.82 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate is sourced from PubChem (CID 1481391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).