3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide

C15H26N4O — CID 83000346

IUPAC3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N(C)CCCN(C)C)c(N)c1
InChIInChI=1S/C15H26N4O/c1-5-17-15(20)12-7-8-14(13(16)11-12)19(4)10-6-9-18(2)3/h7-8,11H,5-6,9-10,16H2,1-4H3,(H,17,20)
InChIKeyCRVSSPLCWDDZMT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.41
Rot. Bonds7

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

3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide (PubChem CID 83000346) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
PubChem CID83000346
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N(C)CCCN(C)C)c(N)c1
InChIInChI=1S/C15H26N4O/c1-5-17-15(20)12-7-8-14(13(16)11-12)19(4)10-6-9-18(2)3/h7-8,11H,5-6,9-10,16H2,1-4H3,(H,17,20)
InChIKeyCRVSSPLCWDDZMT-UHFFFAOYSA-N
XLogP1.41
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
CID 82999560
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
4-amino-3-[2-cyanoethyl(methyl)amino]-N-ethylbenzamide
CID 55190898
3-amino-4-[heptyl(methyl)amino]benzoic acid
CID 63117413
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide (CID 83000346) is 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(N(C)CCCN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide?
The InChIKey is CRVSSPLCWDDZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-17-15(20)12-7-8-14(13(16)11-12)19(4)10-6-9-18(2)3/h7-8,11H,5-6,9-10,16H2,1-4H3,(H,17,20).
What are the key properties of 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide?
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide is sourced from PubChem (CID 83000346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).