N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

C24H33NO3 — CID 133246592

IUPACN-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCOC(C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C24H33NO3/c1-7-28-24(6,15-17(2)3)23(26)25-21-13-18(4)22(19(5)14-21)27-16-20-11-9-8-10-12-20/h8-14,17H,7,15-16H2,1-6H3,(H,25,26)
InChIKeyGWLUGAQRQKHGNI-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.66
Rot. Bonds9

About N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 133246592) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
PubChem CID133246592
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCOC(C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C24H33NO3/c1-7-28-24(6,15-17(2)3)23(26)25-21-13-18(4)22(19(5)14-21)27-16-20-11-9-8-10-12-20/h8-14,17H,7,15-16H2,1-6H3,(H,25,26)
InChIKeyGWLUGAQRQKHGNI-UHFFFAOYSA-N
XLogP5.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696440
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698312
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722558
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (CID 133246592) is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is CCOC(C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1.
What is the InChIKey of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is GWLUGAQRQKHGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-7-28-24(6,15-17(2)3)23(26)25-21-13-18(4)22(19(5)14-21)27-16-20-11-9-8-10-12-20/h8-14,17H,7,15-16H2,1-6H3,(H,25,26).
What are the key properties of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 383.53 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 133246592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).