(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide

C19H23NO3 — CID 99132910

IUPAC(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-18(23-17-8-6-5-7-9-17)19(21)20-14(2)15-10-12-16(22-3)13-11-15/h5-14,18H,4H2,1-3H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyWXNNDZUVFXBEQZ-KSSFIOAISA-N
MW313.40 g/mol
LogP3.73
Rot. Bonds7

About (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide

(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide (PubChem CID 99132910) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
PubChem CID99132910
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-18(23-17-8-6-5-7-9-17)19(21)20-14(2)15-10-12-16(22-3)13-11-15/h5-14,18H,4H2,1-3H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyWXNNDZUVFXBEQZ-KSSFIOAISA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 92679849
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide (CID 99132910) is (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide?
The InChIKey is WXNNDZUVFXBEQZ-KSSFIOAISA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-18(23-17-8-6-5-7-9-17)19(21)20-14(2)15-10-12-16(22-3)13-11-15/h5-14,18H,4H2,1-3H3,(H,20,21)/t14-,18-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide?
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide has a molecular weight of 313.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide is sourced from PubChem (CID 99132910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).