N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide

C19H23NO4 — CID 30035134

IUPACN-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO4/c1-5-24-16-9-6-14(7-10-16)13(2)20-19(21)15-8-11-17(22-3)18(12-15)23-4/h6-13H,5H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyXHSSJNBRZJQZAK-ZDUSSCGKSA-N
MW329.40 g/mol
LogP3.59
Rot. Bonds7

About N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 30035134) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
PubChem CID30035134
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO4/c1-5-24-16-9-6-14(7-10-16)13(2)20-19(21)15-8-11-17(22-3)18(12-15)23-4/h6-13H,5H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyXHSSJNBRZJQZAK-ZDUSSCGKSA-N
XLogP3.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide (CID 30035134) is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide is CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is XHSSJNBRZJQZAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-24-16-9-6-14(7-10-16)13(2)20-19(21)15-8-11-17(22-3)18(12-15)23-4/h6-13H,5H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide?
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 30035134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).