1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one

C18H27NO2 — CID 142987888

IUPAC1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
SMILESCCCC1(CCC)CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C18H27NO2/c1-4-10-18(11-5-2)12-13-19(17(18)20)14-15-6-8-16(21-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3
InChIKeyJTXHAHKHJNCSPU-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.01
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one

1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one (PubChem CID 142987888) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
PubChem CID142987888
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
SMILESCCCC1(CCC)CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C18H27NO2/c1-4-10-18(11-5-2)12-13-19(17(18)20)14-15-6-8-16(21-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3
InChIKeyJTXHAHKHJNCSPU-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one 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

2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
CID 175141193
(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one
CID 24756264
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
1-[(4-bromophenyl)methyl]-3,3-dipropylpyrrolidin-2-one;N-(1-phenylbutyl)acetamide
CID 142987962
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95730261
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131652331
methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate
CID 59999290
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one (CID 142987888) is 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one is CCCC1(CCC)CCN(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one?
The InChIKey is JTXHAHKHJNCSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-10-18(11-5-2)12-13-19(17(18)20)14-15-6-8-16(21-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one?
1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one is sourced from PubChem (CID 142987888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).