(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide

C25H27NO3 — CID 92673239

IUPAC(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C25H27NO3/c1-4-23(29-21-15-10-14-20(17-21)28-3)25(27)26-24(19-12-6-5-7-13-19)22-16-9-8-11-18(22)2/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-,24-/m0/s1
InChIKeyIRMJUTLHBRVGSE-ZEQRLZLVSA-N
MW389.50 g/mol
LogP5.07
Rot. Bonds8

About (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide

(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide (PubChem CID 92673239) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
PubChem CID92673239
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C25H27NO3/c1-4-23(29-21-15-10-14-20(17-21)28-3)25(27)26-24(19-12-6-5-7-13-19)22-16-9-8-11-18(22)2/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-,24-/m0/s1
InChIKeyIRMJUTLHBRVGSE-ZEQRLZLVSA-N
XLogP5.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
(2S)-2-(2,5-dimethylphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574921
(2R)-2-(2,5-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574923
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 93488233
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide (CID 92673239) is (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide is CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide?
The InChIKey is IRMJUTLHBRVGSE-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H27NO3/c1-4-23(29-21-15-10-14-20(17-21)28-3)25(27)26-24(19-12-6-5-7-13-19)22-16-9-8-11-18(22)2/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-,24-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide?
(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide has a molecular weight of 389.50 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 92673239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).