3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide

C14H24N4O — CID 83000191

IUPAC3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCCCN(C)C)c(N)c1
InChIInChI=1S/C14H24N4O/c1-4-16-14(19)11-6-7-13(12(15)10-11)17-8-5-9-18(2)3/h6-7,10,17H,4-5,8-9,15H2,1-3H3,(H,16,19)
InChIKeyVYVLPQUJTHSKPH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.38
Rot. Bonds7

About 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide

3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide (PubChem CID 83000191) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
PubChem CID83000191
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCCCN(C)C)c(N)c1
InChIInChI=1S/C14H24N4O/c1-4-16-14(19)11-6-7-13(12(15)10-11)17-8-5-9-18(2)3/h6-7,10,17H,4-5,8-9,15H2,1-3H3,(H,16,19)
InChIKeyVYVLPQUJTHSKPH-UHFFFAOYSA-N
XLogP1.38
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide (CID 83000191) is 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCCCN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide?
The InChIKey is VYVLPQUJTHSKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-16-14(19)11-6-7-13(12(15)10-11)17-8-5-9-18(2)3/h6-7,10,17H,4-5,8-9,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide?
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide is sourced from PubChem (CID 83000191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).