4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119714141

IUPAC4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-3-15-13(18)10-4-6-11(7-5-10)16-12(17)8-9(2)14;/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeySSQWKLVWDCFKQG-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.53
Rot. Bonds5

About 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride

4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride (PubChem CID 119714141) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
PubChem CID119714141
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-3-15-13(18)10-4-6-11(7-5-10)16-12(17)8-9(2)14;/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeySSQWKLVWDCFKQG-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
4-[(2-ethoxyacetyl)amino]-N-ethylbenzamide
CID 60793697

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride?
The IUPAC name of 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride (CID 119714141) is 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride?
The canonical SMILES for 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride is CCNC(=O)c1ccc(NC(=O)CC(C)N)cc1.Cl.
What is the InChIKey of 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride?
The InChIKey is SSQWKLVWDCFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-3-15-13(18)10-4-6-11(7-5-10)16-12(17)8-9(2)14;/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride?
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 119714141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).