(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide

C13H19N3O2 — CID 119312061

IUPAC(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
SMILESCCc1cccc(NC(=O)CNC(=O)[C@@H](C)N)c1
InChIInChI=1S/C13H19N3O2/c1-3-10-5-4-6-11(7-10)16-12(17)8-15-13(18)9(2)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyUCGCPQNRZBTQNL-SECBINFHSA-N
MW249.31 g/mol
LogP0.65
Rot. Bonds5

About (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide

(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide (PubChem CID 119312061) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
PubChem CID119312061
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
SMILESCCc1cccc(NC(=O)CNC(=O)[C@@H](C)N)c1
InChIInChI=1S/C13H19N3O2/c1-3-10-5-4-6-11(7-10)16-12(17)8-15-13(18)9(2)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyUCGCPQNRZBTQNL-SECBINFHSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 119763802
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
(2S)-2-amino-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82962538
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide (CID 119312061) is (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide is CCc1cccc(NC(=O)CNC(=O)[C@@H](C)N)c1.
What is the InChIKey of (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide?
The InChIKey is UCGCPQNRZBTQNL-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-5-4-6-11(7-10)16-12(17)8-15-13(18)9(2)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide?
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 119312061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).