4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide

C14H22N4O2 — CID 103101347

IUPAC4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
SMILESCCN(CCCC(=O)Nc1ccc(N)cc1)CC(N)=O
InChIInChI=1S/C14H22N4O2/c1-2-18(10-13(16)19)9-3-4-14(20)17-12-7-5-11(15)6-8-12/h5-8H,2-4,9-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNPKWURMVJXQALD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.79
Rot. Bonds8

About 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide

4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide (PubChem CID 103101347) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
PubChem CID103101347
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
SMILESCCN(CCCC(=O)Nc1ccc(N)cc1)CC(N)=O
InChIInChI=1S/C14H22N4O2/c1-2-18(10-13(16)19)9-3-4-14(20)17-12-7-5-11(15)6-8-12/h5-8H,2-4,9-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNPKWURMVJXQALD-UHFFFAOYSA-N
XLogP0.79
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61444637
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924176
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985414
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide?
The IUPAC name of 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide (CID 103101347) is 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide is CCN(CCCC(=O)Nc1ccc(N)cc1)CC(N)=O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide?
The InChIKey is NPKWURMVJXQALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-18(10-13(16)19)9-3-4-14(20)17-12-7-5-11(15)6-8-12/h5-8H,2-4,9-10,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide?
4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide is sourced from PubChem (CID 103101347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).