2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide

C15H25N3O — CID 54987420

IUPAC2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1)CC(C)CN
InChIInChI=1S/C15H25N3O/c1-4-18(10-13(3)9-16)11-15(19)17-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyZYYXEIQHWKVGHB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.85
Rot. Bonds7

About 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide

2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide (PubChem CID 54987420) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide
PubChem CID54987420
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1)CC(C)CN
InChIInChI=1S/C15H25N3O/c1-4-18(10-13(3)9-16)11-15(19)17-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyZYYXEIQHWKVGHB-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477796
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide (CID 54987420) is 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide is CCN(CC(=O)Nc1ccc(C)cc1)CC(C)CN.
What is the InChIKey of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is ZYYXEIQHWKVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(10-13(3)9-16)11-15(19)17-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide?
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 54987420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).