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

C23H31NO5 — CID 94018818

IUPAC(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1OCC
InChIInChI=1S/C23H31NO5/c1-6-20(29-19-11-9-10-18(15-19)26-5)23(25)24-16(4)17-12-13-21(27-7-2)22(14-17)28-8-3/h9-16,20H,6-8H2,1-5H3,(H,24,25)/t16-,20+/m0/s1
InChIKeyDVTCRGIAKZMHBH-OXJNMPFZSA-N
MW401.50 g/mol
LogP4.53
Rot. Bonds11

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

(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 94018818) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID94018818
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1OCC
InChIInChI=1S/C23H31NO5/c1-6-20(29-19-11-9-10-18(15-19)26-5)23(25)24-16(4)17-12-13-21(27-7-2)22(14-17)28-8-3/h9-16,20H,6-8H2,1-5H3,(H,24,25)/t16-,20+/m0/s1
InChIKeyDVTCRGIAKZMHBH-OXJNMPFZSA-N
XLogP4.53
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 30389970
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 994885

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide (CID 94018818) is (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide is CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1OCC.
What is the InChIKey of (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is DVTCRGIAKZMHBH-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H31NO5/c1-6-20(29-19-11-9-10-18(15-19)26-5)23(25)24-16(4)17-12-13-21(27-7-2)22(14-17)28-8-3/h9-16,20H,6-8H2,1-5H3,(H,24,25)/t16-,20+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 401.50 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 94018818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).