N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide

C20H25NO4 — CID 7589542

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(OCC(C)C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-13(2)12-25-16-8-6-7-15(10-16)20(22)21-17-11-19(24-5)18(23-4)9-14(17)3/h6-11,13H,12H2,1-5H3,(H,21,22)
InChIKeyOVDXIJXSKUFGHY-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.30
Rot. Bonds7

About N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide

N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide (PubChem CID 7589542) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
PubChem CID7589542
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(OCC(C)C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-13(2)12-25-16-8-6-7-15(10-16)20(22)21-17-11-19(24-5)18(23-4)9-14(17)3/h6-11,13H,12H2,1-5H3,(H,21,22)
InChIKeyOVDXIJXSKUFGHY-UHFFFAOYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 17220342
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
CID 119421096
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 23793528
N-(2,5-dimethylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112759226
3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079543
N-[(2-bromo-4,5-dimethylphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 4585933
3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17140438
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide (CID 7589542) is N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide is COc1cc(C)c(NC(=O)c2cccc(OCC(C)C)c2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is OVDXIJXSKUFGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13(2)12-25-16-8-6-7-15(10-16)20(22)21-17-11-19(24-5)18(23-4)9-14(17)3/h6-11,13H,12H2,1-5H3,(H,21,22).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide?
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 343.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 7589542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).