1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide

C23H29N3O3 — CID 144739317

IUPAC1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide
SMILESCNc1ccc(-c2ccc(NC(=O)C3CCCN3C(=O)CCCCO)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-24-19-11-7-17(8-12-19)18-9-13-20(14-10-18)25-23(29)21-5-4-15-26(21)22(28)6-2-3-16-27/h7-14,21,24,27H,2-6,15-16H2,1H3,(H,25,29)
InChIKeyICPYCNFOWQMNEJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.49
Rot. Bonds8

About 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide

1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 144739317) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID144739317
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide
SMILESCNc1ccc(-c2ccc(NC(=O)C3CCCN3C(=O)CCCCO)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-24-19-11-7-17(8-12-19)18-9-13-20(14-10-18)25-23(29)21-5-4-15-26(21)22(28)6-2-3-16-27/h7-14,21,24,27H,2-6,15-16H2,1H3,(H,25,29)
InChIKeyICPYCNFOWQMNEJ-UHFFFAOYSA-N
XLogP3.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
methyl N-[1-[2-[[4-[4-(methylamino)phenyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 144739313
(2S)-1-(2-methoxyacetyl)-N-[4-[2-[4-[[(2S)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91589177
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 45212909
(2R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 25376485
(2S)-1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768691
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
tert-butyl N-[4-[2-[(4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl]-4-oxobutyl]carbamate
CID 55966992
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide
CID 94820189
5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide (CID 144739317) is 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide is CNc1ccc(-c2ccc(NC(=O)C3CCCN3C(=O)CCCCO)cc2)cc1.
What is the InChIKey of 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ICPYCNFOWQMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-24-19-11-7-17(8-12-19)18-9-13-20(14-10-18)25-23(29)21-5-4-15-26(21)22(28)6-2-3-16-27/h7-14,21,24,27H,2-6,15-16H2,1H3,(H,25,29).
What are the key properties of 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide?
1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentanoyl)-N-[4-[4-(methylamino)phenyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144739317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).