(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide

C20H25NO3 — CID 100696968

IUPAC(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
SMILESCCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-14-20(2,23-3)19(22)21-17-10-12-18(13-11-17)24-15-16-8-6-5-7-9-16/h5-13H,4,14-15H2,1-3H3,(H,21,22)/t20-/m0/s1
InChIKeyJBVCHYTWWWWVAK-FQEVSTJZSA-N
MW327.42 g/mol
LogP4.41
Rot. Bonds8

About (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide

(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide (PubChem CID 100696968) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
PubChem CID100696968
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
SMILESCCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-14-20(2,23-3)19(22)21-17-10-12-18(13-11-17)24-15-16-8-6-5-7-9-16/h5-13H,4,14-15H2,1-3H3,(H,21,22)/t20-/m0/s1
InChIKeyJBVCHYTWWWWVAK-FQEVSTJZSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698312
2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 133246665
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide (CID 100696968) is (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide is CCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide?
The InChIKey is JBVCHYTWWWWVAK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-14-20(2,23-3)19(22)21-17-10-12-18(13-11-17)24-15-16-8-6-5-7-9-16/h5-13H,4,14-15H2,1-3H3,(H,21,22)/t20-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide?
(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide has a molecular weight of 327.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide is sourced from PubChem (CID 100696968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).