2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide

C16H25N3O2 — CID 69088444

IUPAC2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
SMILESCCN(CC)CCCNC(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)11-7-10-18-15(20)12-13-8-5-6-9-14(13)16(17)21/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyRLWAFNUEEXMRQU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.18
Rot. Bonds9

About 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide

2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide (PubChem CID 69088444) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
PubChem CID69088444
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
SMILESCCN(CC)CCCNC(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)11-7-10-18-15(20)12-13-8-5-6-9-14(13)16(17)21/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyRLWAFNUEEXMRQU-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide 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

2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-[3-[(2-bromoacetyl)amino]propyl]benzamide
CID 71433070
N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
CID 127120142
2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 22262718
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
2-[2-(butanoylamino)ethyl]benzamide
CID 66868335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide (CID 69088444) is 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide is CCN(CC)CCCNC(=O)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide?
The InChIKey is RLWAFNUEEXMRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(4-2)11-7-10-18-15(20)12-13-8-5-6-9-14(13)16(17)21/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide?
2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 69088444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).