N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide

C21H27NO3 — CID 134013870

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide
SMILESCCc1ccc(C(NC(=O)c2cccc(OC)c2OC)C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-6-15-10-12-16(13-11-15)19(14(2)3)22-21(23)17-8-7-9-18(24-4)20(17)25-5/h7-14,19H,6H2,1-5H3,(H,22,23)
InChIKeyPNJIKBKTCRHSGA-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.39
Rot. Bonds7

About N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide (PubChem CID 134013870) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide
PubChem CID134013870
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide
SMILESCCc1ccc(C(NC(=O)c2cccc(OC)c2OC)C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-6-15-10-12-16(13-11-15)19(14(2)3)22-21(23)17-8-7-9-18(24-4)20(17)25-5/h7-14,19H,6H2,1-5H3,(H,22,23)
InChIKeyPNJIKBKTCRHSGA-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197950
2-ethoxy-N-[1-(4-ethylphenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 18289216
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
CID 100531701
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide
CID 16563664
N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55466175
4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
CID 18276449
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide (CID 134013870) is N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide is CCc1ccc(C(NC(=O)c2cccc(OC)c2OC)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide?
The InChIKey is PNJIKBKTCRHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-15-10-12-16(13-11-15)19(14(2)3)22-21(23)17-8-7-9-18(24-4)20(17)25-5/h7-14,19H,6H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide has a molecular weight of 341.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 134013870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).