N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide

C23H31NO4 — CID 100715734

IUPACN-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC
InChIInChI=1S/C23H31NO4/c1-7-27-20-10-9-17(12-22(20)28-8-2)14-24-23(25)19-13-18(15(3)4)21(26-6)11-16(19)5/h9-13,15H,7-8,14H2,1-6H3,(H,24,25)
InChIKeyOBUPORJWEUUBDP-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.85
Rot. Bonds9

About N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide

N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 100715734) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID100715734
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC
InChIInChI=1S/C23H31NO4/c1-7-27-20-10-9-17(12-22(20)28-8-2)14-24-23(25)19-13-18(15(3)4)21(26-6)11-16(19)5/h9-13,15H,7-8,14H2,1-6H3,(H,24,25)
InChIKeyOBUPORJWEUUBDP-UHFFFAOYSA-N
XLogP4.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715760
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
CID 100714446
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
CID 100716391

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide (CID 100715734) is N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide is CCOc1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is OBUPORJWEUUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-7-27-20-10-9-17(12-22(20)28-8-2)14-24-23(25)19-13-18(15(3)4)21(26-6)11-16(19)5/h9-13,15H,7-8,14H2,1-6H3,(H,24,25).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 385.50 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 100715734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).