N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide

C17H27N3O — CID 43568706

IUPACN-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
SMILESCc1c(N)cccc1NC(=O)CCCN(C)C(C)C1CC1
InChIInChI=1S/C17H27N3O/c1-12-15(18)6-4-7-16(12)19-17(21)8-5-11-20(3)13(2)14-9-10-14/h4,6-7,13-14H,5,8-11,18H2,1-3H3,(H,19,21)
InChIKeyNNJDBDMPHLFOHE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.03
Rot. Bonds7

About N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide

N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide (PubChem CID 43568706) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
PubChem CID43568706
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
SMILESCc1c(N)cccc1NC(=O)CCCN(C)C(C)C1CC1
InChIInChI=1S/C17H27N3O/c1-12-15(18)6-4-7-16(12)19-17(21)8-5-11-20(3)13(2)14-9-10-14/h4,6-7,13-14H,5,8-11,18H2,1-3H3,(H,19,21)
InChIKeyNNJDBDMPHLFOHE-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide 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-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985430
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
N-(3-amino-2-methylphenyl)-4-(cyclopentylmethylsulfanyl)butanamide
CID 63119327
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide (CID 43568706) is N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide is Cc1c(N)cccc1NC(=O)CCCN(C)C(C)C1CC1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide?
The InChIKey is NNJDBDMPHLFOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-15(18)6-4-7-16(12)19-17(21)8-5-11-20(3)13(2)14-9-10-14/h4,6-7,13-14H,5,8-11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide?
N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide is sourced from PubChem (CID 43568706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).