2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride

C11H16ClN3O2 — CID 119273488

IUPAC2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-13-11(16)8-4-2-3-5-9(8)14-10(15)6-7-12;/h2-5H,6-7,12H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyWRXUKOWXAKQTGO-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.76
Rot. Bonds4

About 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride

2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride (PubChem CID 119273488) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
PubChem CID119273488
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-13-11(16)8-4-2-3-5-9(8)14-10(15)6-7-12;/h2-5H,6-7,12H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyWRXUKOWXAKQTGO-UHFFFAOYSA-N
XLogP0.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-(3-aminopropanoylamino)benzamide
CID 22692052
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
CID 110615676
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
CID 92944462
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride?
The IUPAC name of 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride (CID 119273488) is 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride?
The canonical SMILES for 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride is CNC(=O)c1ccccc1NC(=O)CCN.Cl.
What is the InChIKey of 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride?
The InChIKey is WRXUKOWXAKQTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c1-13-11(16)8-4-2-3-5-9(8)14-10(15)6-7-12;/h2-5H,6-7,12H2,1H3,(H,13,16)(H,14,15);1H.
What are the key properties of 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride?
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119273488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).