3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide

C21H27NO4 — CID 110601722

IUPAC3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide
SMILESCOc1cc(C(=O)NC(C)(C)Cc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-14-7-9-15(10-8-14)13-21(2,3)22-20(23)16-11-17(24-4)19(26-6)18(12-16)25-5/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyJMHCZGWMNUMFHX-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.77
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide

3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide (PubChem CID 110601722) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide
PubChem CID110601722
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide
SMILESCOc1cc(C(=O)NC(C)(C)Cc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-14-7-9-15(10-8-14)13-21(2,3)22-20(23)16-11-17(24-4)19(26-6)18(12-16)25-5/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyJMHCZGWMNUMFHX-UHFFFAOYSA-N
XLogP3.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-3,4,5-trimethoxybenzamide
CID 114307867
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
(Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 74228960
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
3,4,5-trimethoxy-N-[(3S)-3-methylpent-1-yn-3-yl]benzamide
CID 709973
N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 51089527
3,4,5-trimethoxy-N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 27708107
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide (CID 110601722) is 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide is COc1cc(C(=O)NC(C)(C)Cc2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide?
The InChIKey is JMHCZGWMNUMFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-14-7-9-15(10-8-14)13-21(2,3)22-20(23)16-11-17(24-4)19(26-6)18(12-16)25-5/h7-12H,13H2,1-6H3,(H,22,23).
What are the key properties of 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide?
3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 110601722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).