5-[(2-anilino-2-oxoethyl)amino]pentanamide

C13H19N3O2 — CID 106237405

IUPAC5-[(2-anilino-2-oxoethyl)amino]pentanamide
SMILESNC(=O)CCCCNCC(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-12(17)8-4-5-9-15-10-13(18)16-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,8-10H2,(H2,14,17)(H,16,18)
InChIKeySUVDIJFKQJBAFM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.87
Rot. Bonds8

About 5-[(2-anilino-2-oxoethyl)amino]pentanamide

5-[(2-anilino-2-oxoethyl)amino]pentanamide (PubChem CID 106237405) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(2-anilino-2-oxoethyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(2-anilino-2-oxoethyl)amino]pentanamide
PubChem CID106237405
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(2-anilino-2-oxoethyl)amino]pentanamide
SMILESNC(=O)CCCCNCC(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-12(17)8-4-5-9-15-10-13(18)16-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,8-10H2,(H2,14,17)(H,16,18)
InChIKeySUVDIJFKQJBAFM-UHFFFAOYSA-N
XLogP0.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
6-formamido-N-phenylhexanamide
CID 156509815
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
6-oxo-N-phenylhexanamide
CID 19422082
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814556
8-oxo-N-phenyloctanamide
CID 15739209
2-(2-methylsulfonylethylamino)-N-phenylacetamide
CID 54935124

Frequently Asked Questions

What is the IUPAC name of 5-[(2-anilino-2-oxoethyl)amino]pentanamide?
The IUPAC name of 5-[(2-anilino-2-oxoethyl)amino]pentanamide (CID 106237405) is 5-[(2-anilino-2-oxoethyl)amino]pentanamide.
What is the SMILES notation for 5-[(2-anilino-2-oxoethyl)amino]pentanamide?
The canonical SMILES for 5-[(2-anilino-2-oxoethyl)amino]pentanamide is NC(=O)CCCCNCC(=O)Nc1ccccc1.
What is the InChIKey of 5-[(2-anilino-2-oxoethyl)amino]pentanamide?
The InChIKey is SUVDIJFKQJBAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12(17)8-4-5-9-15-10-13(18)16-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,8-10H2,(H2,14,17)(H,16,18).
What are the key properties of 5-[(2-anilino-2-oxoethyl)amino]pentanamide?
5-[(2-anilino-2-oxoethyl)amino]pentanamide has a molecular weight of 249.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-anilino-2-oxoethyl)amino]pentanamide is sourced from PubChem (CID 106237405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).