2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide

C18H29NO3 — CID 133246576

IUPAC2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)C(C)(CC(C)C)OCC)cc1C
InChIInChI=1S/C18H29NO3/c1-7-21-16-10-9-15(11-14(16)5)19-17(20)18(6,22-8-2)12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,19,20)
InChIKeyNOCCTEJGTLIFLU-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.17
Rot. Bonds8

About 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide

2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide (PubChem CID 133246576) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
PubChem CID133246576
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)C(C)(CC(C)C)OCC)cc1C
InChIInChI=1S/C18H29NO3/c1-7-21-16-10-9-15(11-14(16)5)19-17(20)18(6,22-8-2)12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,19,20)
InChIKeyNOCCTEJGTLIFLU-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759496
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide?
The IUPAC name of 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide (CID 133246576) is 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide.
What is the SMILES notation for 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide?
The canonical SMILES for 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide is CCOc1ccc(NC(=O)C(C)(CC(C)C)OCC)cc1C.
What is the InChIKey of 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide?
The InChIKey is NOCCTEJGTLIFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-7-21-16-10-9-15(11-14(16)5)19-17(20)18(6,22-8-2)12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,19,20).
What are the key properties of 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide?
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide has a molecular weight of 307.43 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide is sourced from PubChem (CID 133246576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).