(2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide

C21H27NO3 — CID 39967975

IUPAC(2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)20(17-9-11-18(24-5)12-10-17)22-21(23)16(4)25-19-8-6-7-15(3)13-19/h6-14,16,20H,1-5H3,(H,22,23)/t16-,20+/m0/s1
InChIKeyPKRUTURDMKONIP-OXJNMPFZSA-N
MW341.45 g/mol
LogP4.28
Rot. Bonds7

About (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide

(2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide (PubChem CID 39967975) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide
PubChem CID39967975
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)20(17-9-11-18(24-5)12-10-17)22-21(23)16(4)25-19-8-6-7-15(3)13-19/h6-14,16,20H,1-5H3,(H,22,23)/t16-,20+/m0/s1
InChIKeyPKRUTURDMKONIP-OXJNMPFZSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
2-(3-methylphenoxy)propanehydrazide
CID 3021693
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide (CID 39967975) is (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide is COc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C(C)C)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is PKRUTURDMKONIP-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(2)20(17-9-11-18(24-5)12-10-17)22-21(23)16(4)25-19-8-6-7-15(3)13-19/h6-14,16,20H,1-5H3,(H,22,23)/t16-,20+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide?
(2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 39967975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).