N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide

C16H27N3O — CID 82224877

IUPACN-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
SMILESCCCN(CCC)C(C)C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C16H27N3O/c1-5-9-19(10-6-2)13(4)16(20)18-14-8-7-12(3)15(17)11-14/h7-8,11,13H,5-6,9-10,17H2,1-4H3,(H,18,20)
InChIKeyHGWHMRVNZCYOCK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds7

About N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide

N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide (PubChem CID 82224877) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
PubChem CID82224877
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
SMILESCCCN(CCC)C(C)C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C16H27N3O/c1-5-9-19(10-6-2)13(4)16(20)18-14-8-7-12(3)15(17)11-14/h7-8,11,13H,5-6,9-10,17H2,1-4H3,(H,18,20)
InChIKeyHGWHMRVNZCYOCK-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
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-4-methylphenyl)-2-(dipropylamino)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-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
2-[[1-(3-amino-4-methylanilino)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82224892
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224835
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide
CID 82224855
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide (CID 82224877) is N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide is CCCN(CCC)C(C)C(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide?
The InChIKey is HGWHMRVNZCYOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-9-19(10-6-2)13(4)16(20)18-14-8-7-12(3)15(17)11-14/h7-8,11,13H,5-6,9-10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide?
N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide has a molecular weight of 277.41 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-4-methylphenyl)-2-(dipropylamino)propanamide is sourced from PubChem (CID 82224877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).