(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide

C22H29NO5 — CID 30389970

IUPAC(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OCC
InChIInChI=1S/C22H29NO5/c1-6-26-20-12-11-17(13-21(20)27-7-2)15(3)23-22(24)16(4)28-19-10-8-9-18(14-19)25-5/h8-16H,6-7H2,1-5H3,(H,23,24)/t15-,16+/m1/s1
InChIKeyGYEKZWWLUHVVJQ-CVEARBPZSA-N
MW387.48 g/mol
LogP4.14
Rot. Bonds10

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

(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide (PubChem CID 30389970) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
PubChem CID30389970
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OCC
InChIInChI=1S/C22H29NO5/c1-6-26-20-12-11-17(13-21(20)27-7-2)15(3)23-22(24)16(4)28-19-10-8-9-18(14-19)25-5/h8-16H,6-7H2,1-5H3,(H,23,24)/t15-,16+/m1/s1
InChIKeyGYEKZWWLUHVVJQ-CVEARBPZSA-N
XLogP4.14
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818
(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
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 38016623
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methoxyphenoxy)propanamide
CID 133186771
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide (CID 30389970) is (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide is CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OCC.
What is the InChIKey of (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide?
The InChIKey is GYEKZWWLUHVVJQ-CVEARBPZSA-N. The full InChI is InChI=1S/C22H29NO5/c1-6-26-20-12-11-17(13-21(20)27-7-2)15(3)23-22(24)16(4)28-19-10-8-9-18(14-19)25-5/h8-16H,6-7H2,1-5H3,(H,23,24)/t15-,16+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide?
(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide has a molecular weight of 387.48 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 30389970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).