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

C22H29NO3 — CID 100698312

IUPAC(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C22H29NO3/c1-6-12-22(4,25-5)21(24)23-19-13-16(2)20(17(3)14-19)26-15-18-10-8-7-9-11-18/h7-11,13-14H,6,12,15H2,1-5H3,(H,23,24)/t22-/m1/s1
InChIKeyXKVFIPZXKSCILS-JOCHJYFZSA-N
MW355.48 g/mol
LogP5.03
Rot. Bonds8

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

(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide (PubChem CID 100698312) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
PubChem CID100698312
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C22H29NO3/c1-6-12-22(4,25-5)21(24)23-19-13-16(2)20(17(3)14-19)26-15-18-10-8-7-9-11-18/h7-11,13-14H,6,12,15H2,1-5H3,(H,23,24)/t22-/m1/s1
InChIKeyXKVFIPZXKSCILS-JOCHJYFZSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.03
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)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
CID 100696968
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133246592
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
CID 100702276
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
2-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-2-methylpentanamide
CID 133205587
(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
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide?
The IUPAC name of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide (CID 100698312) is (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide?
The canonical SMILES for (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide is CCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1.
What is the InChIKey of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide?
The InChIKey is XKVFIPZXKSCILS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-12-22(4,25-5)21(24)23-19-13-16(2)20(17(3)14-19)26-15-18-10-8-7-9-11-18/h7-11,13-14H,6,12,15H2,1-5H3,(H,23,24)/t22-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide?
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide has a molecular weight of 355.48 g/mol, XLogP of 5.03, 8 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-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide is sourced from PubChem (CID 100698312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).