benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate

C19H26N2O3 — CID 69031215

IUPACbenzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
SMILESCC1CC(=O)N(C2CCCCC2NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-14-11-18(22)21(12-14)17-10-6-5-9-16(17)20-19(23)24-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,23)
InChIKeyREAPIWDOLLEMHH-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.09
Rot. Bonds4

About benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate

benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate (PubChem CID 69031215) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
PubChem CID69031215
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namebenzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
SMILESCC1CC(=O)N(C2CCCCC2NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-14-11-18(22)21(12-14)17-10-6-5-9-16(17)20-19(23)24-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,23)
InChIKeyREAPIWDOLLEMHH-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]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

benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11425456
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 143231679
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate (CID 69031215) is benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate is CC1CC(=O)N(C2CCCCC2NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
The InChIKey is REAPIWDOLLEMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-11-18(22)21(12-14)17-10-6-5-9-16(17)20-19(23)24-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,23).
What are the key properties of benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate is sourced from PubChem (CID 69031215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).