(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide

C24H25NO3 — CID 2243628

IUPAC(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H25NO3/c1-3-22(28-21-12-8-5-9-13-21)24(26)25-23(18-10-6-4-7-11-18)19-14-16-20(27-2)17-15-19/h4-17,22-23H,3H2,1-2H3,(H,25,26)/t22-,23-/m0/s1
InChIKeyCNQWQVVAYOEEPJ-GOTSBHOMSA-N
MW375.47 g/mol
LogP4.76
Rot. Bonds8

About (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide

(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide (PubChem CID 2243628) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
PubChem CID2243628
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H25NO3/c1-3-22(28-21-12-8-5-9-13-21)24(26)25-23(18-10-6-4-7-11-18)19-14-16-20(27-2)17-15-19/h4-17,22-23H,3H2,1-2H3,(H,25,26)/t22-,23-/m0/s1
InChIKeyCNQWQVVAYOEEPJ-GOTSBHOMSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92673239
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide?
The IUPAC name of (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide (CID 2243628) is (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide?
The InChIKey is CNQWQVVAYOEEPJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-22(28-21-12-8-5-9-13-21)24(26)25-23(18-10-6-4-7-11-18)19-14-16-20(27-2)17-15-19/h4-17,22-23H,3H2,1-2H3,(H,25,26)/t22-,23-/m0/s1.
What are the key properties of (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide?
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide has a molecular weight of 375.47 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide is sourced from PubChem (CID 2243628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).