4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride

C13H20ClN3O2 — CID 119296184

IUPAC4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)CCCN)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-12(17)15-10-5-7-11(8-6-10)16-13(18)4-3-9-14;/h5-8H,2-4,9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyRZZYOOQUMNROFA-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.13
Rot. Bonds6

About 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride

4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride (PubChem CID 119296184) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
PubChem CID119296184
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)CCCN)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-12(17)15-10-5-7-11(8-6-10)16-13(18)4-3-9-14;/h5-8H,2-4,9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyRZZYOOQUMNROFA-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119278037

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride (CID 119296184) is 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride is CCC(=O)Nc1ccc(NC(=O)CCCN)cc1.Cl.
What is the InChIKey of 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride?
The InChIKey is RZZYOOQUMNROFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-2-12(17)15-10-5-7-11(8-6-10)16-13(18)4-3-9-14;/h5-8H,2-4,9,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride?
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119296184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).