(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide

C18H29NO3 — CID 100698179

IUPAC(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO3/c1-8-9-18(6,21-7)17(20)19-15-10-13(4)16(14(5)11-15)22-12(2)3/h10-12H,8-9H2,1-7H3,(H,19,20)/t18-/m1/s1
InChIKeyKCBMMMPUCJQAIE-GOSISDBHSA-N
MW307.43 g/mol
LogP4.23
Rot. Bonds7

About (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide

(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide (PubChem CID 100698179) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
PubChem CID100698179
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO3/c1-8-9-18(6,21-7)17(20)19-15-10-13(4)16(14(5)11-15)22-12(2)3/h10-12H,8-9H2,1-7H3,(H,19,20)/t18-/m1/s1
InChIKeyKCBMMMPUCJQAIE-GOSISDBHSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide 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

(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100725343
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722558
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722553
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
CID 100740417
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698312
(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
CID 100702276
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100696366
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 133246250

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide?
The IUPAC name of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide (CID 100698179) is (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide?
The canonical SMILES for (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide is CCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1.
What is the InChIKey of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide?
The InChIKey is KCBMMMPUCJQAIE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29NO3/c1-8-9-18(6,21-7)17(20)19-15-10-13(4)16(14(5)11-15)22-12(2)3/h10-12H,8-9H2,1-7H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide?
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide has a molecular weight of 307.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide is sourced from PubChem (CID 100698179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).