N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide

C17H29N3O — CID 16778780

IUPACN-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
SMILESCCCN(CCC)CCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C17H29N3O/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-13-15(18)9-8-14(16)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyKXNRZMGTEIKHTL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds9

About N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide

N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide (PubChem CID 16778780) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
PubChem CID16778780
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
SMILESCCCN(CCC)CCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C17H29N3O/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-13-15(18)9-8-14(16)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyKXNRZMGTEIKHTL-UHFFFAOYSA-N
XLogP3.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
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)-4-(dipropylamino)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-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide (CID 16778780) is N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide is CCCN(CCC)CCCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
The InChIKey is KXNRZMGTEIKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-13-15(18)9-8-14(16)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide has a molecular weight of 291.44 g/mol, XLogP of 3.42, 9 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)-4-(dipropylamino)butanamide is sourced from PubChem (CID 16778780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).