N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide

C18H21NO3 — CID 33300897

IUPACN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-16-10-8-14(9-11-16)13(2)19-18(20)15-6-5-7-17(12-15)21-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyZGTJPDDZKNIEJT-CYBMUJFWSA-N
MW299.37 g/mol
LogP3.58
Rot. Bonds6

About N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide

N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide (PubChem CID 33300897) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
PubChem CID33300897
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-16-10-8-14(9-11-16)13(2)19-18(20)15-6-5-7-17(12-15)21-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyZGTJPDDZKNIEJT-CYBMUJFWSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
N-[(1S)-1-(2-bromo-4,5-diethoxyphenyl)ethyl]-3-methoxybenzamide
CID 1008434
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 2236745
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide (CID 33300897) is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide is CCOc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide?
The InChIKey is ZGTJPDDZKNIEJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-22-16-10-8-14(9-11-16)13(2)19-18(20)15-6-5-7-17(12-15)21-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide?
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 33300897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).