3-(3-aminopropanoylamino)-N-methylbenzamide

C11H15N3O2 — CID 61258621

IUPAC3-(3-aminopropanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCN)c1
InChIInChI=1S/C11H15N3O2/c1-13-11(16)8-3-2-4-9(7-8)14-10(15)5-6-12/h2-4,7H,5-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYOHIZGRMAYOMNZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.33
Rot. Bonds4

About 3-(3-aminopropanoylamino)-N-methylbenzamide

3-(3-aminopropanoylamino)-N-methylbenzamide (PubChem CID 61258621) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(3-aminopropanoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-(3-aminopropanoylamino)-N-methylbenzamide
PubChem CID61258621
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(3-aminopropanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCN)c1
InChIInChI=1S/C11H15N3O2/c1-13-11(16)8-3-2-4-9(7-8)14-10(15)5-6-12/h2-4,7H,5-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYOHIZGRMAYOMNZ-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide
CID 24620392
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125
2-hydroxyethyl N-[3-(methylcarbamoyl)phenyl]carbamate
CID 79346068

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropanoylamino)-N-methylbenzamide?
The IUPAC name of 3-(3-aminopropanoylamino)-N-methylbenzamide (CID 61258621) is 3-(3-aminopropanoylamino)-N-methylbenzamide.
What is the SMILES notation for 3-(3-aminopropanoylamino)-N-methylbenzamide?
The canonical SMILES for 3-(3-aminopropanoylamino)-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CCN)c1.
What is the InChIKey of 3-(3-aminopropanoylamino)-N-methylbenzamide?
The InChIKey is YOHIZGRMAYOMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-11(16)8-3-2-4-9(7-8)14-10(15)5-6-12/h2-4,7H,5-6,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(3-aminopropanoylamino)-N-methylbenzamide?
3-(3-aminopropanoylamino)-N-methylbenzamide has a molecular weight of 221.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropanoylamino)-N-methylbenzamide is sourced from PubChem (CID 61258621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).