(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide

C18H29NO2 — CID 99131605

IUPAC(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2/c1-7-15-10-8-9-11-16(15)21-14(6)18(20)19-17(12(2)3)13(4)5/h8-14,17H,7H2,1-6H3,(H,19,20)/t14-/m0/s1
InChIKeyACCYPGPBHYRRNC-AWEZNQCLSA-N
MW291.44 g/mol
LogP3.81
Rot. Bonds7

About (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide

(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide (PubChem CID 99131605) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
PubChem CID99131605
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2/c1-7-15-10-8-9-11-16(15)21-14(6)18(20)19-17(12(2)3)13(4)5/h8-14,17H,7H2,1-6H3,(H,19,20)/t14-/m0/s1
InChIKeyACCYPGPBHYRRNC-AWEZNQCLSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 53285104
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide (CID 99131605) is (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide is CCc1ccccc1O[C@@H](C)C(=O)NC(C(C)C)C(C)C.
What is the InChIKey of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide?
The InChIKey is ACCYPGPBHYRRNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29NO2/c1-7-15-10-8-9-11-16(15)21-14(6)18(20)19-17(12(2)3)13(4)5/h8-14,17H,7H2,1-6H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide?
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide has a molecular weight of 291.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 99131605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).