1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one

C22H26N2O — CID 119108010

IUPAC1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESC/C(=C/c1ccccc1)CNCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C22H26N2O/c1-18(13-19-7-3-2-4-8-19)15-23-16-20-9-5-10-21(14-20)17-24-12-6-11-22(24)25/h2-5,7-10,13-14,23H,6,11-12,15-17H2,1H3/b18-13-
InChIKeyTWCRXQPTHVSDRL-AQTBWJFISA-N
MW334.46 g/mol
LogP4.00
Rot. Bonds7

About 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 119108010) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID119108010
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESC/C(=C/c1ccccc1)CNCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C22H26N2O/c1-18(13-19-7-3-2-4-8-19)15-23-16-20-9-5-10-21(14-20)17-24-12-6-11-22(24)25/h2-5,7-10,13-14,23H,6,11-12,15-17H2,1H3/b18-13-
InChIKeyTWCRXQPTHVSDRL-AQTBWJFISA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-benzylidene-N'-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 109414747
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-benzylpyrrolidin-2-one;methyl formate
CID 143754063
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131992
N'-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723272
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
2-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126304
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
2-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-(2-phenoxyethyl)guanidine
CID 111004741
4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185737

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 119108010) is 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one is C/C(=C/c1ccccc1)CNCc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is TWCRXQPTHVSDRL-AQTBWJFISA-N. The full InChI is InChI=1S/C22H26N2O/c1-18(13-19-7-3-2-4-8-19)15-23-16-20-9-5-10-21(14-20)17-24-12-6-11-22(24)25/h2-5,7-10,13-14,23H,6,11-12,15-17H2,1H3/b18-13-.
What are the key properties of 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 334.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 119108010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).