(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide

C18H29NO3 — CID 100722896

IUPAC(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1
InChIInChI=1S/C18H29NO3/c1-6-12-21-16-10-8-15(9-11-16)19-17(20)18(5,22-7-2)13-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H,19,20)/t18-/m0/s1
InChIKeyMHXWDGHIWDYNKS-SFHVURJKSA-N
MW307.43 g/mol
LogP4.26
Rot. Bonds9

About (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide

(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide (PubChem CID 100722896) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
PubChem CID100722896
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1
InChIInChI=1S/C18H29NO3/c1-6-12-21-16-10-8-15(9-11-16)19-17(20)18(5,22-7-2)13-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H,19,20)/t18-/m0/s1
InChIKeyMHXWDGHIWDYNKS-SFHVURJKSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide 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

2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722911
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
CID 100723548
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 133246563
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100738354
(2R)-N-[4-[(2S)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100738347
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
CID 100724348
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide
CID 100710857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide (CID 100722896) is (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide is CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1.
What is the InChIKey of (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide?
The InChIKey is MHXWDGHIWDYNKS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-12-21-16-10-8-15(9-11-16)19-17(20)18(5,22-7-2)13-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide?
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide has a molecular weight of 307.43 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide is sourced from PubChem (CID 100722896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).