N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide

C23H31NO5 — CID 18354463

IUPACN-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CC(CCO)c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C23H31NO5/c1-15-7-8-17(11-16(15)2)18(9-10-25)14-24(3)23(26)19-12-20(27-4)22(29-6)21(13-19)28-5/h7-8,11-13,18,25H,9-10,14H2,1-6H3
InChIKeyWPRXFFUXSOVJGT-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.57
Rot. Bonds9

About N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide

N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 18354463) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID18354463
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC NameN-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CC(CCO)c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C23H31NO5/c1-15-7-8-17(11-16(15)2)18(9-10-25)14-24(3)23(26)19-12-20(27-4)22(29-6)21(13-19)28-5/h7-8,11-13,18,25H,9-10,14H2,1-6H3
InChIKeyWPRXFFUXSOVJGT-UHFFFAOYSA-N
XLogP3.57
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopropyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 63755028
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-methylsulfonylbutyl]-N-methylbenzamide
CID 21223820
N-[2-(4-fluorophenyl)-4-methylsulfonylbutyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 15870529
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-[2-(3,4-dimethoxyphenyl)-4-methylsulfonylbutyl]-N-methylbenzamide
CID 18354489
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide (CID 18354463) is N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)CC(CCO)c2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is WPRXFFUXSOVJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-15-7-8-17(11-16(15)2)18(9-10-25)14-24(3)23(26)19-12-20(27-4)22(29-6)21(13-19)28-5/h7-8,11-13,18,25H,9-10,14H2,1-6H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide?
N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 401.50 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 18354463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).