N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide

C16H27N3O — CID 43569678

IUPACN-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN(C)C(C)C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)13(4)19(5)9-8-16(20)18-15-7-6-14(17)10-12(15)3/h6-7,10-11,13H,8-9,17H2,1-5H3,(H,18,20)
InChIKeyLVHAWAKLMAGLLF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.88
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide

N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide (PubChem CID 43569678) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
PubChem CID43569678
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN(C)C(C)C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)13(4)19(5)9-8-16(20)18-15-7-6-14(17)10-12(15)3/h6-7,10-11,13H,8-9,17H2,1-5H3,(H,18,20)
InChIKeyLVHAWAKLMAGLLF-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)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

N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63878531
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide (CID 43569678) is N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide is Cc1cc(N)ccc1NC(=O)CCN(C)C(C)C(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
The InChIKey is LVHAWAKLMAGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)13(4)19(5)9-8-16(20)18-15-7-6-14(17)10-12(15)3/h6-7,10-11,13H,8-9,17H2,1-5H3,(H,18,20).
What are the key properties of N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide?
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 43569678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).