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

C14H18N2O4 — CID 175141193

IUPAC[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
SMILESCOc1ccc(CN2CCC(C)(OC(N)=O)C2=O)cc1
InChIInChI=1S/C14H18N2O4/c1-14(20-13(15)18)7-8-16(12(14)17)9-10-3-5-11(19-2)6-4-10/h3-6H,7-9H2,1-2H3,(H2,15,18)
InChIKeyKEEGVPLXJSTYMZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.28
Rot. Bonds4

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

[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate (PubChem CID 175141193) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
PubChem CID175141193
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
SMILESCOc1ccc(CN2CCC(C)(OC(N)=O)C2=O)cc1
InChIInChI=1S/C14H18N2O4/c1-14(20-13(15)18)7-8-16(12(14)17)9-10-3-5-11(19-2)6-4-10/h3-6H,7-9H2,1-2H3,(H2,15,18)
InChIKeyKEEGVPLXJSTYMZ-UHFFFAOYSA-N
XLogP1.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one
CID 24756264
1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
CID 142987888
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
CID 90319948
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
CID 129101345
ethane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
CID 145304270
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131652331
tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]acetate
CID 118496235

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate (CID 175141193) is [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate is COc1ccc(CN2CCC(C)(OC(N)=O)C2=O)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate?
The InChIKey is KEEGVPLXJSTYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(20-13(15)18)7-8-16(12(14)17)9-10-3-5-11(19-2)6-4-10/h3-6H,7-9H2,1-2H3,(H2,15,18).
What are the key properties of [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate?
[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate has a molecular weight of 278.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175141193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).