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

C22H29NO3 — CID 93487722

IUPAC(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2C)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)14-20(18-10-12-19(25-5)13-11-18)23-22(24)17(4)26-21-9-7-6-8-16(21)3/h6-13,15,17,20H,14H2,1-5H3,(H,23,24)/t17-,20-/m0/s1
InChIKeyGIPRSBZYBZNZPM-PXNSSMCTSA-N
MW355.48 g/mol
LogP4.67
Rot. Bonds8

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

(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide (PubChem CID 93487722) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
PubChem CID93487722
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2C)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)14-20(18-10-12-19(25-5)13-11-18)23-22(24)17(4)26-21-9-7-6-8-16(21)3/h6-13,15,17,20H,14H2,1-5H3,(H,23,24)/t17-,20-/m0/s1
InChIKeyGIPRSBZYBZNZPM-PXNSSMCTSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160250
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132666166
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28566665
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide (CID 93487722) is (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide is COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2C)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is GIPRSBZYBZNZPM-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)14-20(18-10-12-19(25-5)13-11-18)23-22(24)17(4)26-21-9-7-6-8-16(21)3/h6-13,15,17,20H,14H2,1-5H3,(H,23,24)/t17-,20-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide?
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.67, 8 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)-3-methylbutyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 93487722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).