N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide

C27H33N3O3 — CID 59940953

IUPACN-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide
SMILESO=C(NCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O3/c31-24(30-20-10-15-23(30)27(33)29-18-7-8-19-29)16-9-17-28-26(32)25(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23,25H,7-10,15-20H2,(H,28,32)/t23-/m0/s1
InChIKeyQYRUWKKWAKRSRX-QHCPKHFHSA-N
MW447.58 g/mol
LogP3.33
Rot. Bonds8

About N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide

N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide (PubChem CID 59940953) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide
PubChem CID59940953
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide
SMILESO=C(NCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O3/c31-24(30-20-10-15-23(30)27(33)29-18-7-8-19-29)16-9-17-28-26(32)25(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23,25H,7-10,15-20H2,(H,28,32)/t23-/m0/s1
InChIKeyQYRUWKKWAKRSRX-QHCPKHFHSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
4-phenyl-1-[2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 15080758
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071366
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709
6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one
CID 59940988
1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 110285901
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide (CID 59940953) is N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide is O=C(NCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide?
The InChIKey is QYRUWKKWAKRSRX-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H33N3O3/c31-24(30-20-10-15-23(30)27(33)29-18-7-8-19-29)16-9-17-28-26(32)25(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23,25H,7-10,15-20H2,(H,28,32)/t23-/m0/s1.
What are the key properties of N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide?
N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide has a molecular weight of 447.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide is sourced from PubChem (CID 59940953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).