2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C23H29N3O2 — CID 86977003

IUPAC2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)NCCCN1CCCC1=O
InChIInChI=1S/C23H29N3O2/c27-22(24-14-8-16-26-15-7-13-23(26)28)19-25(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-19H2,(H,24,27)
InChIKeyDESSIPBDHOFHQV-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.82
Rot. Bonds10

About 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 86977003) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID86977003
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)NCCCN1CCCC1=O
InChIInChI=1S/C23H29N3O2/c27-22(24-14-8-16-26-15-7-13-23(26)28)19-25(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-19H2,(H,24,27)
InChIKeyDESSIPBDHOFHQV-UHFFFAOYSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.82
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

2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
2-[(3-chlorophenyl)methyl-ethylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87014305
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
2-[(3-cyanophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86931104
2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87013297
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86911651
2-(4-fluoro-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014857
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 86977003) is 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(CN(Cc1ccccc1)Cc1ccccc1)NCCCN1CCCC1=O.
What is the InChIKey of 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is DESSIPBDHOFHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(24-14-8-16-26-15-7-13-23(26)28)19-25(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-19H2,(H,24,27).
What are the key properties of 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 86977003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).