2-(3-aminopropanoylamino)benzamide

C10H13N3O2 — CID 22692052

IUPAC2-(3-aminopropanoylamino)benzamide
SMILESNCCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C10H13N3O2/c11-6-5-9(14)13-8-4-2-1-3-7(8)10(12)15/h1-4H,5-6,11H2,(H2,12,15)(H,13,14)
InChIKeyHQIKMUXCHCCUNA-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.07
Rot. Bonds4

About 2-(3-aminopropanoylamino)benzamide

2-(3-aminopropanoylamino)benzamide (PubChem CID 22692052) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)benzamide.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)benzamide
PubChem CID22692052
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(3-aminopropanoylamino)benzamide
SMILESNCCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C10H13N3O2/c11-6-5-9(14)13-8-4-2-1-3-7(8)10(12)15/h1-4H,5-6,11H2,(H2,12,15)(H,13,14)
InChIKeyHQIKMUXCHCCUNA-UHFFFAOYSA-N
XLogP0.07
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-(7-chloroheptanoylamino)benzamide
CID 139930503
2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
CID 110676330
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
2-aminoacetic acid;2-[(2-hydroxyacetyl)amino]benzamide
CID 175957439
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
CID 92944462
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide
CID 51208638

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)benzamide?
The IUPAC name of 2-(3-aminopropanoylamino)benzamide (CID 22692052) is 2-(3-aminopropanoylamino)benzamide.
What is the SMILES notation for 2-(3-aminopropanoylamino)benzamide?
The canonical SMILES for 2-(3-aminopropanoylamino)benzamide is NCCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-(3-aminopropanoylamino)benzamide?
The InChIKey is HQIKMUXCHCCUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-6-5-9(14)13-8-4-2-1-3-7(8)10(12)15/h1-4H,5-6,11H2,(H2,12,15)(H,13,14).
What are the key properties of 2-(3-aminopropanoylamino)benzamide?
2-(3-aminopropanoylamino)benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)benzamide is sourced from PubChem (CID 22692052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).