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
SMILESCc1cc(NC(=O)Oc2ccccc2)ccc1N1CCCC1=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
MW310.35 g/mol
LogP3.73
Rot. Bonds3

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 310.35 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 Weight310.35 g/mol
Exact Mass310.13
IUPAC Namephenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)ccc1N1CCCC1=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
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679288
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide
CID 42142736
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184

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 Cc1cc(NC(=O)Oc2ccccc2)ccc1N1CCCC1=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 310.35 g/mol, XLogP of 3.73, 3 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).