N-benzyl-3,4,5-trimethoxy-N-methylbenzamide

C18H21NO4 — CID 669607

IUPACN-benzyl-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-19(12-13-8-6-5-7-9-13)18(20)14-10-15(21-2)17(23-4)16(11-14)22-3/h5-11H,12H2,1-4H3
InChIKeyZXDSIWWBBCROER-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.98
Rot. Bonds6

About N-benzyl-3,4,5-trimethoxy-N-methylbenzamide

N-benzyl-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 669607) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-benzyl-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID669607
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-benzyl-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-19(12-13-8-6-5-7-9-13)18(20)14-10-15(21-2)17(23-4)16(11-14)22-3/h5-11H,12H2,1-4H3
InChIKeyZXDSIWWBBCROER-UHFFFAOYSA-N
XLogP2.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]benzoic acid
CID 66774944
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
2-[4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenyl]acetic acid
CID 66775075

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-benzyl-3,4,5-trimethoxy-N-methylbenzamide (CID 669607) is N-benzyl-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-benzyl-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-benzyl-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is ZXDSIWWBBCROER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-19(12-13-8-6-5-7-9-13)18(20)14-10-15(21-2)17(23-4)16(11-14)22-3/h5-11H,12H2,1-4H3.
What are the key properties of N-benzyl-3,4,5-trimethoxy-N-methylbenzamide?
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).