(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide

C17H23N3O3 — CID 94446827

IUPAC(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@@H](C)n2ccnc2)cc1OC
InChIInChI=1S/C17H23N3O3/c1-5-23-15-7-6-14(10-16(15)22-4)12(2)19-17(21)13(3)20-9-8-18-11-20/h6-13H,5H2,1-4H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyOOIFQZPLORWMMW-CHWSQXEVSA-N
MW317.39 g/mol
LogP2.73
Rot. Bonds7

About (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide

(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide (PubChem CID 94446827) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide
PubChem CID94446827
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@@H](C)n2ccnc2)cc1OC
InChIInChI=1S/C17H23N3O3/c1-5-23-15-7-6-14(10-16(15)22-4)12(2)19-17(21)13(3)20-9-8-18-11-20/h6-13H,5H2,1-4H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyOOIFQZPLORWMMW-CHWSQXEVSA-N
XLogP2.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94022861
2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 47284474
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
1-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119994
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
(2R)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885683
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807
(2S)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885687
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
(E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 94660157
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide (CID 94446827) is (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide is CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)n2ccnc2)cc1OC.
What is the InChIKey of (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide?
The InChIKey is OOIFQZPLORWMMW-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-23-15-7-6-14(10-16(15)22-4)12(2)19-17(21)13(3)20-9-8-18-11-20/h6-13H,5H2,1-4H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide?
(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 94446827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).