N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide

C15H25N3O — CID 43271733

IUPACN-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN(C)CC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)10-18(4)8-7-15(19)17-14-9-13(16)6-5-12(14)3/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19)
InChIKeyGIZZMDGCNZIAQB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide

N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide (PubChem CID 43271733) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
PubChem CID43271733
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN(C)CC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)10-18(4)8-7-15(19)17-14-9-13(16)6-5-12(14)3/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19)
InChIKeyGIZZMDGCNZIAQB-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide 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

3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
CID 79481491
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914827
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide (CID 43271733) is N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide is Cc1ccc(N)cc1NC(=O)CCN(C)CC(C)C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide?
The InChIKey is GIZZMDGCNZIAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)10-18(4)8-7-15(19)17-14-9-13(16)6-5-12(14)3/h5-6,9,11H,7-8,10,16H2,1-4H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide?
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 43271733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).