4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide

C20H25NO3 — CID 39700417

IUPAC4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-5-24-17-12-11-15(13-18(17)23-4)19(22)21-14-20(2,3)16-9-7-6-8-10-16/h6-13H,5,14H2,1-4H3,(H,21,22)
InChIKeyWLELNLIMBLHBPB-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.80
Rot. Bonds7

About 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide

4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide (PubChem CID 39700417) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
PubChem CID39700417
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-5-24-17-12-11-15(13-18(17)23-4)19(22)21-14-20(2,3)16-9-7-6-8-10-16/h6-13H,5,14H2,1-4H3,(H,21,22)
InChIKeyWLELNLIMBLHBPB-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
CID 46400629
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide (CID 39700417) is 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide is CCOc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide?
The InChIKey is WLELNLIMBLHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-24-17-12-11-15(13-18(17)23-4)19(22)21-14-20(2,3)16-9-7-6-8-10-16/h6-13H,5,14H2,1-4H3,(H,21,22).
What are the key properties of 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide?
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide is sourced from PubChem (CID 39700417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).