phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate

C18H18N2O3 — CID 7686624

IUPACphenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
SMILESCC1=C(C=CC(=C1)NC(=O)OC2=CC=CC=C2)N3CCCC3=O
InChIInChI=1S/C18H18N2O3/c1-13-12-14(9-10-16(13)20-11-5-8-17(20)21)19-18(22)23-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,22)
InChIKeySEBRJTBKOMSDEJ-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.80
Rot. Bonds4

About phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate

phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate (PubChem CID 7686624) has the molecular formula C18H18N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
PubChem CID7686624
Molecular FormulaC18H18N2O3
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Namephenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
SMILESCC1=C(C=CC(=C1)NC(=O)OC2=CC=CC=C2)N3CCCC3=O
InChIInChI=1S/C18H18N2O3/c1-13-12-14(9-10-16(13)20-11-5-8-17(20)21)19-18(22)23-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,22)
InChIKeySEBRJTBKOMSDEJ-UHFFFAOYSA-N
XLogP2.80
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity434

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]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-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate (CID 7686624) is phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate is CC1=C(C=CC(=C1)NC(=O)OC2=CC=CC=C2)N3CCCC3=O.
What is the InChIKey of phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
The InChIKey is SEBRJTBKOMSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-12-14(9-10-16(13)20-11-5-8-17(20)21)19-18(22)23-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,22).
What are the key properties of phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate has a molecular weight of 310.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate is sourced from PubChem (CID 7686624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).