(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide

C28H27NO3 — CID 7373963

IUPAC(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C28H27NO3/c1-3-26(32-25-18-13-20-9-7-8-12-23(20)19-25)28(30)29-27(21-10-5-4-6-11-21)22-14-16-24(31-2)17-15-22/h4-19,26-27H,3H2,1-2H3,(H,29,30)/t26-,27-/m1/s1
InChIKeyXYJUBXQNPJCOJU-KAYWLYCHSA-N
MW425.53 g/mol
LogP5.91
Rot. Bonds8

About (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide

(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 7373963) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID7373963
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C28H27NO3/c1-3-26(32-25-18-13-20-9-7-8-12-23(20)19-25)28(30)29-27(21-10-5-4-6-11-21)22-14-16-24(31-2)17-15-22/h4-19,26-27H,3H2,1-2H3,(H,29,30)/t26-,27-/m1/s1
InChIKeyXYJUBXQNPJCOJU-KAYWLYCHSA-N
XLogP5.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 17328429
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide (CID 7373963) is (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is XYJUBXQNPJCOJU-KAYWLYCHSA-N. The full InChI is InChI=1S/C28H27NO3/c1-3-26(32-25-18-13-20-9-7-8-12-23(20)19-25)28(30)29-27(21-10-5-4-6-11-21)22-14-16-24(31-2)17-15-22/h4-19,26-27H,3H2,1-2H3,(H,29,30)/t26-,27-/m1/s1.
What are the key properties of (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide?
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 425.53 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 7373963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).