(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

C22H29NO3 — CID 28578729

IUPAC(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1
InChIInChI=1S/C22H29NO3/c1-7-25-20-10-8-19(9-11-20)17(5)23-22(24)18(6)26-21-13-14(2)12-15(3)16(21)4/h8-13,17-18H,7H2,1-6H3,(H,23,24)/t17-,18+/m1/s1
InChIKeySNGZMXSMZIDRRS-MSOLQXFVSA-N
MW355.48 g/mol
LogP4.66
Rot. Bonds7

About (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 28578729) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID28578729
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1
InChIInChI=1S/C22H29NO3/c1-7-25-20-10-8-19(9-11-20)17(5)23-22(24)18(6)26-21-13-14(2)12-15(3)16(21)4/h8-13,17-18H,7H2,1-6H3,(H,23,24)/t17-,18+/m1/s1
InChIKeySNGZMXSMZIDRRS-MSOLQXFVSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 93486437
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94018683
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
CID 92683815
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165674
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 28578729) is (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is SNGZMXSMZIDRRS-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H29NO3/c1-7-25-20-10-8-19(9-11-20)17(5)23-22(24)18(6)26-21-13-14(2)12-15(3)16(21)4/h8-13,17-18H,7H2,1-6H3,(H,23,24)/t17-,18+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.66, 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-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 28578729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).