N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide

C19H23NO2 — CID 94843664

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H23NO2/c1-5-22-17-9-7-16(8-10-17)19(21)20-15(4)18-11-6-13(2)12-14(18)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyUNEPAUQCXVTHAY-HNNXBMFYSA-N
MW297.40 g/mol
LogP4.19
Rot. Bonds5

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide (PubChem CID 94843664) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
PubChem CID94843664
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H23NO2/c1-5-22-17-9-7-16(8-10-17)19(21)20-15(4)18-11-6-13(2)12-14(18)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyUNEPAUQCXVTHAY-HNNXBMFYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17327516
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287290
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 43895647
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92674095
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide (CID 94843664) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide?
The InChIKey is UNEPAUQCXVTHAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-22-17-9-7-16(8-10-17)19(21)20-15(4)18-11-6-13(2)12-14(18)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide has a molecular weight of 297.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide is sourced from PubChem (CID 94843664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).