3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119701572

IUPAC3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(14)7-12(17)15-11-6-4-5-10(8-11)13(18)16(2)3;/h4-6,8-9H,7,14H2,1-3H3,(H,15,17);1H
InChIKeyDGJQJVODBUAMDS-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.49
Rot. Bonds4

About 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride

3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119701572) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
PubChem CID119701572
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(14)7-12(17)15-11-6-4-5-10(8-11)13(18)16(2)3;/h4-6,8-9H,7,14H2,1-3H3,(H,15,17);1H
InChIKeyDGJQJVODBUAMDS-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
CID 46420486
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride (CID 119701572) is 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride is CC(N)CC(=O)Nc1cccc(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is DGJQJVODBUAMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-9(14)7-12(17)15-11-6-4-5-10(8-11)13(18)16(2)3;/h4-6,8-9H,7,14H2,1-3H3,(H,15,17);1H.
What are the key properties of 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride?
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119701572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).