5-amino-N-(3-aminophenyl)-2-ethylpentanamide

C13H21N3O — CID 164939498

IUPAC5-amino-N-(3-aminophenyl)-2-ethylpentanamide
SMILESCCC(CCCN)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H21N3O/c1-2-10(5-4-8-14)13(17)16-12-7-3-6-11(15)9-12/h3,6-7,9-10H,2,4-5,8,14-15H2,1H3,(H,16,17)
InChIKeyXWQPUPCKXSJNMM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds6

About 5-amino-N-(3-aminophenyl)-2-ethylpentanamide

5-amino-N-(3-aminophenyl)-2-ethylpentanamide (PubChem CID 164939498) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-N-(3-aminophenyl)-2-ethylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-aminophenyl)-2-ethylpentanamide
PubChem CID164939498
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-N-(3-aminophenyl)-2-ethylpentanamide
SMILESCCC(CCCN)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H21N3O/c1-2-10(5-4-8-14)13(17)16-12-7-3-6-11(15)9-12/h3,6-7,9-10H,2,4-5,8,14-15H2,1H3,(H,16,17)
InChIKeyXWQPUPCKXSJNMM-UHFFFAOYSA-N
XLogP1.97
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
CID 112517472
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
CID 112517469
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-aminophenyl)-2-ethylpentanamide?
The IUPAC name of 5-amino-N-(3-aminophenyl)-2-ethylpentanamide (CID 164939498) is 5-amino-N-(3-aminophenyl)-2-ethylpentanamide.
What is the SMILES notation for 5-amino-N-(3-aminophenyl)-2-ethylpentanamide?
The canonical SMILES for 5-amino-N-(3-aminophenyl)-2-ethylpentanamide is CCC(CCCN)C(=O)Nc1cccc(N)c1.
What is the InChIKey of 5-amino-N-(3-aminophenyl)-2-ethylpentanamide?
The InChIKey is XWQPUPCKXSJNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-10(5-4-8-14)13(17)16-12-7-3-6-11(15)9-12/h3,6-7,9-10H,2,4-5,8,14-15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(3-aminophenyl)-2-ethylpentanamide?
5-amino-N-(3-aminophenyl)-2-ethylpentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-aminophenyl)-2-ethylpentanamide is sourced from PubChem (CID 164939498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).