phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate

C17H24N2O3 — CID 126191202

IUPACphenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-13-8-6-7-11-15(13)18-16(20)12-19(2)17(21)22-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyYZLAKQKOUYIGEV-ZFWWWQNUSA-N
MW304.39 g/mol
LogP2.81
Rot. Bonds4

About phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate

phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate (PubChem CID 126191202) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
PubChem CID126191202
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namephenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-13-8-6-7-11-15(13)18-16(20)12-19(2)17(21)22-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyYZLAKQKOUYIGEV-ZFWWWQNUSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate (CID 126191202) is phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate is C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate?
The InChIKey is YZLAKQKOUYIGEV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-8-6-7-11-15(13)18-16(20)12-19(2)17(21)22-14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3,(H,18,20)/t13-,15-/m0/s1.
What are the key properties of phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate?
phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 126191202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).