3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

C21H27NO3 — CID 9264272

IUPAC3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)N[C@@H](C)c1cc(C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-5-25-19-9-7-6-8-17(19)11-13-21(23)22-16(3)18-14-15(2)10-12-20(18)24-4/h6-10,12,14,16H,5,11,13H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyCAKCPMWBCFLGRB-INIZCTEOSA-N
MW341.45 g/mol
LogP4.21
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 9264272) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID9264272
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)N[C@@H](C)c1cc(C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-5-25-19-9-7-6-8-17(19)11-13-21(23)22-16(3)18-14-15(2)10-12-20(18)24-4/h6-10,12,14,16H,5,11,13H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyCAKCPMWBCFLGRB-INIZCTEOSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide
CID 108789416
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 24524842
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134049400
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 9264272) is 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is CCOc1ccccc1CCC(=O)N[C@@H](C)c1cc(C)ccc1OC.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is CAKCPMWBCFLGRB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-25-19-9-7-6-8-17(19)11-13-21(23)22-16(3)18-14-15(2)10-12-20(18)24-4/h6-10,12,14,16H,5,11,13H2,1-4H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 9264272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).