(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

C24H33NO4 — CID 38016623

IUPAC(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OCC
InChIInChI=1S/C24H33NO4/c1-7-27-22-14-13-19(15-23(22)28-8-2)17(5)25-24(26)18(6)29-21-12-10-9-11-20(21)16(3)4/h9-18H,7-8H2,1-6H3,(H,25,26)/t17-,18-/m0/s1
InChIKeyFEZAESRTDRWVBD-ROUUACIJSA-N
MW399.53 g/mol
LogP5.25
Rot. Bonds10

About (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 38016623) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID38016623
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OCC
InChIInChI=1S/C24H33NO4/c1-7-27-22-14-13-19(15-23(22)28-8-2)17(5)25-24(26)18(6)29-21-12-10-9-11-20(21)16(3)4/h9-18H,7-8H2,1-6H3,(H,25,26)/t17-,18-/m0/s1
InChIKeyFEZAESRTDRWVBD-ROUUACIJSA-N
XLogP5.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17326610
(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 30389970
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 38016623) is (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OCC.
What is the InChIKey of (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is FEZAESRTDRWVBD-ROUUACIJSA-N. The full InChI is InChI=1S/C24H33NO4/c1-7-27-22-14-13-19(15-23(22)28-8-2)17(5)25-24(26)18(6)29-21-12-10-9-11-20(21)16(3)4/h9-18H,7-8H2,1-6H3,(H,25,26)/t17-,18-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 399.53 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 38016623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).