N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide

C18H21NO3 — CID 880654

IUPACN-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-17-11-5-14(6-12-17)13(2)19-18(20)15-7-9-16(21-3)10-8-15/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyXRYZQOIBUPIIEC-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.58
Rot. Bonds6

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

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 880654) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID880654
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-17-11-5-14(6-12-17)13(2)19-18(20)15-7-9-16(21-3)10-8-15/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyXRYZQOIBUPIIEC-ZDUSSCGKSA-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

methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide (CID 880654) is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide is CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is XRYZQOIBUPIIEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-22-17-11-5-14(6-12-17)13(2)19-18(20)15-7-9-16(21-3)10-8-15/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide?
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-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-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 880654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).