N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C29H32N2O2 — CID 126698951

IUPACN-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCCC/C=C(/CCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1C
InChIInChI=1S/C29H32N2O2/c1-3-4-11-23(25-14-7-5-10-21(25)2)17-18-30-29(33)24-19-28(32)31(20-24)27-16-9-13-22-12-6-8-15-26(22)27/h5-16,24H,3-4,17-20H2,1-2H3,(H,30,33)/b23-11-
InChIKeyYPFQJCLJABJCQO-KSEXSDGBSA-N
MW440.59 g/mol
LogP5.89
Rot. Bonds8

About N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 126698951) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID126698951
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCCC/C=C(/CCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1C
InChIInChI=1S/C29H32N2O2/c1-3-4-11-23(25-14-7-5-10-21(25)2)17-18-30-29(33)24-19-28(32)31(20-24)27-16-9-13-22-12-6-8-15-26(22)27/h5-16,24H,3-4,17-20H2,1-2H3,(H,30,33)/b23-11-
InChIKeyYPFQJCLJABJCQO-KSEXSDGBSA-N
XLogP5.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 126698687
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 40847514
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 71850076
(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26209339
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 17392000
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 126698951) is N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is CCC/C=C(/CCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1C.
What is the InChIKey of N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YPFQJCLJABJCQO-KSEXSDGBSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-3-4-11-23(25-14-7-5-10-21(25)2)17-18-30-29(33)24-19-28(32)31(20-24)27-16-9-13-22-12-6-8-15-26(22)27/h5-16,24H,3-4,17-20H2,1-2H3,(H,30,33)/b23-11-.
What are the key properties of N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126698951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).