2-amino-N-phenylbutanediamide;dihydrochloride

C10H15Cl2N3O2 — CID 70455433

IUPAC2-amino-N-phenylbutanediamide;dihydrochloride
SMILESCl.Cl.NC(=O)CC(N)C(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O2.2ClH/c11-8(6-9(12)14)10(15)13-7-4-2-1-3-5-7;;/h1-5,8H,6,11H2,(H2,12,14)(H,13,15);2*1H
InChIKeyPAPVUCHGMUHUKK-UHFFFAOYSA-N
MW280.15 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-N-phenylbutanediamide;dihydrochloride

2-amino-N-phenylbutanediamide;dihydrochloride (PubChem CID 70455433) has the molecular formula C10H15Cl2N3O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-amino-N-phenylbutanediamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-phenylbutanediamide;dihydrochloride
PubChem CID70455433
Molecular FormulaC10H15Cl2N3O2
Molecular Weight280.15 g/mol
Exact Mass279.05
IUPAC Name2-amino-N-phenylbutanediamide;dihydrochloride
SMILESCl.Cl.NC(=O)CC(N)C(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O2.2ClH/c11-8(6-9(12)14)10(15)13-7-4-2-1-3-5-7;;/h1-5,8H,6,11H2,(H2,12,14)(H,13,15);2*1H
InChIKeyPAPVUCHGMUHUKK-UHFFFAOYSA-N
XLogP0.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]acetic acid
CID 62536880
2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61157183
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
CID 119955811
(E)-3-[4-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]prop-2-enoic acid
CID 115342327
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
(2S)-2-amino-N-[3-(dimethylamino)phenyl]butanediamide
CID 110482736
tert-butyl (3S)-3-amino-4-anilino-4-oxobutanoate
CID 54337711
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
CID 119955979
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-phenylbutanediamide;dihydrochloride?
The IUPAC name of 2-amino-N-phenylbutanediamide;dihydrochloride (CID 70455433) is 2-amino-N-phenylbutanediamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-phenylbutanediamide;dihydrochloride?
The canonical SMILES for 2-amino-N-phenylbutanediamide;dihydrochloride is Cl.Cl.NC(=O)CC(N)C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-N-phenylbutanediamide;dihydrochloride?
The InChIKey is PAPVUCHGMUHUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.2ClH/c11-8(6-9(12)14)10(15)13-7-4-2-1-3-5-7;;/h1-5,8H,6,11H2,(H2,12,14)(H,13,15);2*1H.
What are the key properties of 2-amino-N-phenylbutanediamide;dihydrochloride?
2-amino-N-phenylbutanediamide;dihydrochloride has a molecular weight of 280.15 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-phenylbutanediamide;dihydrochloride is sourced from PubChem (CID 70455433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).