2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide

C13H20N4O2 — CID 103101404

IUPAC2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
SMILESCCN(CC(N)=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C13H20N4O2/c1-3-17(8-12(15)18)9(2)13(19)16-11-7-5-4-6-10(11)14/h4-7,9H,3,8,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyKWSMVIILVIBAJW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.40
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide

2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide (PubChem CID 103101404) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
PubChem CID103101404
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
SMILESCCN(CC(N)=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C13H20N4O2/c1-3-17(8-12(15)18)9(2)13(19)16-11-7-5-4-6-10(11)14/h4-7,9H,3,8,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyKWSMVIILVIBAJW-UHFFFAOYSA-N
XLogP0.40
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
CID 16779035
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-aminophenyl)propanamide
CID 103101365
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
CID 43270011
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
CID 112804401
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide (CID 103101404) is 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide is CCN(CC(N)=O)C(C)C(=O)Nc1ccccc1N.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide?
The InChIKey is KWSMVIILVIBAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17(8-12(15)18)9(2)13(19)16-11-7-5-4-6-10(11)14/h4-7,9H,3,8,14H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide?
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide is sourced from PubChem (CID 103101404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).