N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide

C23H26N2O3 — CID 45192068

IUPACN-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
SMILESC=CCCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C23H26N2O3/c1-3-4-11-22(26)25-16-7-10-21(25)23(27)24-20-9-6-5-8-19(20)17-12-14-18(28-2)15-13-17/h3,5-6,8-9,12-15,21H,1,4,7,10-11,16H2,2H3,(H,24,27)
InChIKeyFTMLPWDRGVEZQG-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.26
Rot. Bonds7

About N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide

N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide (PubChem CID 45192068) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
PubChem CID45192068
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
SMILESC=CCCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C23H26N2O3/c1-3-4-11-22(26)25-16-7-10-21(25)23(27)24-20-9-6-5-8-19(20)17-12-14-18(28-2)15-13-17/h3,5-6,8-9,12-15,21H,1,4,7,10-11,16H2,2H3,(H,24,27)
InChIKeyFTMLPWDRGVEZQG-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
CID 42211902
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 25287412
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 45215558
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274155
N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide (CID 45192068) is N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide is C=CCCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide?
The InChIKey is FTMLPWDRGVEZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-4-11-22(26)25-16-7-10-21(25)23(27)24-20-9-6-5-8-19(20)17-12-14-18(28-2)15-13-17/h3,5-6,8-9,12-15,21H,1,4,7,10-11,16H2,2H3,(H,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide?
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45192068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).