2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide

C13H19N3O2 — CID 119279299

IUPAC2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CCN
InChIInChI=1S/C13H19N3O2/c1-9(2)15-13(18)10-5-3-4-6-11(10)16-12(17)7-8-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyAVNFPSUYEXWIOT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.11
Rot. Bonds5

About 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide

2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide (PubChem CID 119279299) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
PubChem CID119279299
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CCN
InChIInChI=1S/C13H19N3O2/c1-9(2)15-13(18)10-5-3-4-6-11(10)16-12(17)7-8-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyAVNFPSUYEXWIOT-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
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2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
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2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
CID 21173388
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-methoxyethyl 4-oxo-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 17338904
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide (CID 119279299) is 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)CCN.
What is the InChIKey of 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is AVNFPSUYEXWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)15-13(18)10-5-3-4-6-11(10)16-12(17)7-8-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide?
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 119279299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).