N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide

C21H21NO4 — CID 41261586

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H21NO4/c1-24-18-10-14(11-19(25-2)20(18)26-3)13-22-21(23)17-9-8-15-6-4-5-7-16(15)12-17/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyZYZQUCGKGDAZJX-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.80
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide

N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide (PubChem CID 41261586) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
PubChem CID41261586
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H21NO4/c1-24-18-10-14(11-19(25-2)20(18)26-3)13-22-21(23)17-9-8-15-6-4-5-7-16(15)12-17/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyZYZQUCGKGDAZJX-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
(3,4,5-trimethoxyphenyl)methyl naphthalene-2-carboxylate
CID 9244590
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide (CID 41261586) is N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide is COc1cc(CNC(=O)c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide?
The InChIKey is ZYZQUCGKGDAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-18-10-14(11-19(25-2)20(18)26-3)13-22-21(23)17-9-8-15-6-4-5-7-16(15)12-17/h4-12H,13H2,1-3H3,(H,22,23).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide?
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 41261586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).