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

C23H31NO3 — CID 100696440

IUPAC(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C23H31NO3/c1-16(2)14-23(5,26-6)22(25)24-20-12-17(3)21(18(4)13-20)27-15-19-10-8-7-9-11-19/h7-13,16H,14-15H2,1-6H3,(H,24,25)/t23-/m1/s1
InChIKeyDESWNZBDBGJXFY-HSZRJFAPSA-N
MW369.51 g/mol
LogP5.27
Rot. Bonds8

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

(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide (PubChem CID 100696440) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
PubChem CID100696440
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C23H31NO3/c1-16(2)14-23(5,26-6)22(25)24-20-12-17(3)21(18(4)13-20)27-15-19-10-8-7-9-11-19/h7-13,16H,14-15H2,1-6H3,(H,24,25)/t23-/m1/s1
InChIKeyDESWNZBDBGJXFY-HSZRJFAPSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133246592
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698312
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100696366
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739252
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699350
(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
CID 100696968
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 100692444

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide (CID 100696440) is (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide is CO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1.
What is the InChIKey of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is DESWNZBDBGJXFY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31NO3/c1-16(2)14-23(5,26-6)22(25)24-20-12-17(3)21(18(4)13-20)27-15-19-10-8-7-9-11-19/h7-13,16H,14-15H2,1-6H3,(H,24,25)/t23-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 369.51 g/mol, XLogP of 5.27, 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-2,4-dimethylpentanamide is sourced from PubChem (CID 100696440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).