N-(3-amino-2-methylphenyl)-4-propoxybutanamide

C14H22N2O2 — CID 43247848

IUPACN-(3-amino-2-methylphenyl)-4-propoxybutanamide
SMILESCCCOCCCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2O2/c1-3-9-18-10-5-8-14(17)16-13-7-4-6-12(15)11(13)2/h4,6-7H,3,5,8-10,15H2,1-2H3,(H,16,17)
InChIKeyVFDGVSYCHDSZMK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.72
Rot. Bonds7

About N-(3-amino-2-methylphenyl)-4-propoxybutanamide

N-(3-amino-2-methylphenyl)-4-propoxybutanamide (PubChem CID 43247848) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-propoxybutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-propoxybutanamide
PubChem CID43247848
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-2-methylphenyl)-4-propoxybutanamide
SMILESCCCOCCCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2O2/c1-3-9-18-10-5-8-14(17)16-13-7-4-6-12(15)11(13)2/h4,6-7H,3,5,8-10,15H2,1-2H3,(H,16,17)
InChIKeyVFDGVSYCHDSZMK-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-2-methylphenyl)-4-propoxybutanamide 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)-4-phenylmethoxybutanamide
CID 16784272
N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995516
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
CID 47069804
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-(3-amino-2-methylphenyl)-4-tert-butylsulfinylbutanamide
CID 61304602

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-propoxybutanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-propoxybutanamide (CID 43247848) is N-(3-amino-2-methylphenyl)-4-propoxybutanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-propoxybutanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-propoxybutanamide is CCCOCCCC(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-propoxybutanamide?
The InChIKey is VFDGVSYCHDSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-18-10-5-8-14(17)16-13-7-4-6-12(15)11(13)2/h4,6-7H,3,5,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylphenyl)-4-propoxybutanamide?
N-(3-amino-2-methylphenyl)-4-propoxybutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.72, 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-propoxybutanamide is sourced from PubChem (CID 43247848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).