4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119298478

IUPAC4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)CCN)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(2)15-13(18)10-3-5-11(6-4-10)16-12(17)7-8-14;/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyYHVQQWWYVAJKOE-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.53
Rot. Bonds5

About 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride

4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119298478) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119298478
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)CCN)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(2)15-13(18)10-3-5-11(6-4-10)16-12(17)7-8-14;/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyYHVQQWWYVAJKOE-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

3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride (CID 119298478) is 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride is CC(C)NC(=O)c1ccc(NC(=O)CCN)cc1.Cl.
What is the InChIKey of 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is YHVQQWWYVAJKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-9(2)15-13(18)10-3-5-11(6-4-10)16-12(17)7-8-14;/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of 4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;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-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119298478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).