3-amino-N-(2-ethylphenyl)propanamide

C11H16N2O — CID 16784015

IUPAC3-amino-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN
InChIInChI=1S/C11H16N2O/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyJCUQXKLDMLYFAS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-N-(2-ethylphenyl)propanamide

3-amino-N-(2-ethylphenyl)propanamide (PubChem CID 16784015) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylphenyl)propanamide
PubChem CID16784015
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN
InChIInChI=1S/C11H16N2O/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyJCUQXKLDMLYFAS-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-amino-N-(2-ethylphenyl)propanamide (CID 16784015) is 3-amino-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-ethylphenyl)propanamide?
The InChIKey is JCUQXKLDMLYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(2-ethylphenyl)propanamide?
3-amino-N-(2-ethylphenyl)propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 16784015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).