3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide

C20H25N3O2 — CID 119763802

IUPAC3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
SMILESCCc1cccc(NC(=O)CNC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-15-8-7-11-17(12-15)23-18(24)13-22-20(25)14(2)19(21)16-9-5-4-6-10-16/h4-12,14,19H,3,13,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPMRQCZLXJCALMP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.64
Rot. Bonds7

About 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119763802) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
PubChem CID119763802
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
SMILESCCc1cccc(NC(=O)CNC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-15-8-7-11-17(12-15)23-18(24)13-22-20(25)14(2)19(21)16-9-5-4-6-10-16/h4-12,14,19H,3,13,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPMRQCZLXJCALMP-UHFFFAOYSA-N
XLogP2.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061
3-amino-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]-3-phenylpropanamide
CID 86813957
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119790386
3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride
CID 119784239
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2S)-2-amino-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82962538
3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62876522
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide (CID 119763802) is 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide is CCc1cccc(NC(=O)CNC(=O)C(C)C(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is PMRQCZLXJCALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-15-8-7-11-17(12-15)23-18(24)13-22-20(25)14(2)19(21)16-9-5-4-6-10-16/h4-12,14,19H,3,13,21H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119763802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).