4-(2-aminopropanoylamino)-N-ethylbenzamide

C12H17N3O2 — CID 43712262

IUPAC4-(2-aminopropanoylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)N)cc1
InChIInChI=1S/C12H17N3O2/c1-3-14-12(17)9-4-6-10(7-5-9)15-11(16)8(2)13/h4-8H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDKXGDJUHYHYAEF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.72
Rot. Bonds4

About 4-(2-aminopropanoylamino)-N-ethylbenzamide

4-(2-aminopropanoylamino)-N-ethylbenzamide (PubChem CID 43712262) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(2-aminopropanoylamino)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(2-aminopropanoylamino)-N-ethylbenzamide
PubChem CID43712262
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(2-aminopropanoylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)N)cc1
InChIInChI=1S/C12H17N3O2/c1-3-14-12(17)9-4-6-10(7-5-9)15-11(16)8(2)13/h4-8H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDKXGDJUHYHYAEF-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
CID 78972443
4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 43701031
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
4-benzamido-N-ethylbenzamide
CID 17153265

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropanoylamino)-N-ethylbenzamide?
The IUPAC name of 4-(2-aminopropanoylamino)-N-ethylbenzamide (CID 43712262) is 4-(2-aminopropanoylamino)-N-ethylbenzamide.
What is the SMILES notation for 4-(2-aminopropanoylamino)-N-ethylbenzamide?
The canonical SMILES for 4-(2-aminopropanoylamino)-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)C(C)N)cc1.
What is the InChIKey of 4-(2-aminopropanoylamino)-N-ethylbenzamide?
The InChIKey is DKXGDJUHYHYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-14-12(17)9-4-6-10(7-5-9)15-11(16)8(2)13/h4-8H,3,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-(2-aminopropanoylamino)-N-ethylbenzamide?
4-(2-aminopropanoylamino)-N-ethylbenzamide has a molecular weight of 235.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropanoylamino)-N-ethylbenzamide is sourced from PubChem (CID 43712262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).