2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide

C15H25N3O — CID 108995048

IUPAC2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-13-5-7-14(8-6-13)11-17-15(19)12-16-9-4-10-18(2)3/h5-8,16H,4,9-12H2,1-3H3,(H,17,19)
InChIKeyHGIJGBTUTCUWFQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.15
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide

2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 108995048) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID108995048
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-13-5-7-14(8-6-13)11-17-15(19)12-16-9-4-10-18(2)3/h5-8,16H,4,9-12H2,1-3H3,(H,17,19)
InChIKeyHGIJGBTUTCUWFQ-UHFFFAOYSA-N
XLogP1.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide 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-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
ethyl 4-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoate
CID 60648259
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108995055
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992275
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide (CID 108995048) is 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNCCCN(C)C)cc1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is HGIJGBTUTCUWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-5-7-14(8-6-13)11-17-15(19)12-16-9-4-10-18(2)3/h5-8,16H,4,9-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108995048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).