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

C21H27NO3 — CID 46433040

IUPAC3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
SMILESCCOc1cc(C(=O)NCC(c2ccccc2)C(C)C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-5-25-20-13-17(11-12-19(20)24-4)21(23)22-14-18(15(2)3)16-9-7-6-8-10-16/h6-13,15,18H,5,14H2,1-4H3,(H,22,23)
InChIKeyWTYMDHKMPHOEIP-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.26
Rot. Bonds8

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

3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide (PubChem CID 46433040) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
PubChem CID46433040
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
SMILESCCOc1cc(C(=O)NCC(c2ccccc2)C(C)C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-5-25-20-13-17(11-12-19(20)24-4)21(23)22-14-18(15(2)3)16-9-7-6-8-10-16/h6-13,15,18H,5,14H2,1-4H3,(H,22,23)
InChIKeyWTYMDHKMPHOEIP-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
4-ethoxy-3-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 100550465
N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
CID 103770448
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide (CID 46433040) is 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide is CCOc1cc(C(=O)NCC(c2ccccc2)C(C)C)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
The InChIKey is WTYMDHKMPHOEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-25-20-13-17(11-12-19(20)24-4)21(23)22-14-18(15(2)3)16-9-7-6-8-10-16/h6-13,15,18H,5,14H2,1-4H3,(H,22,23).
What are the key properties of 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide has a molecular weight of 341.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide is sourced from PubChem (CID 46433040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).