2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride

C15H23ClN4O3 — CID 119955979

IUPAC2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-3-19(4-2)15(22)10-5-7-11(8-6-10)18-14(21)12(16)9-13(17)20;/h5-8,12H,3-4,9,16H2,1-2H3,(H2,17,20)(H,18,21);1H
InChIKeyJSGFNGBUZPQNQC-UHFFFAOYSA-N
MW342.83 g/mol
LogP0.73
Rot. Bonds7

About 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride

2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride (PubChem CID 119955979) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
PubChem CID119955979
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Name2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-3-19(4-2)15(22)10-5-7-11(8-6-10)18-14(21)12(16)9-13(17)20;/h5-8,12H,3-4,9,16H2,1-2H3,(H2,17,20)(H,18,21);1H
InChIKeyJSGFNGBUZPQNQC-UHFFFAOYSA-N
XLogP0.73
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
CID 119956305
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
CID 119282808

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride (CID 119955979) is 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride is CCN(CC)C(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride?
The InChIKey is JSGFNGBUZPQNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-3-19(4-2)15(22)10-5-7-11(8-6-10)18-14(21)12(16)9-13(17)20;/h5-8,12H,3-4,9,16H2,1-2H3,(H2,17,20)(H,18,21);1H.
What are the key properties of 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride?
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride is sourced from PubChem (CID 119955979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).