6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide

C28H27NO3 — CID 21209618

IUPAC6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3ccccc3)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C28H27NO3/c1-19-9-11-21(12-10-19)24-16-23(28(30)29-14-13-20-7-5-4-6-8-20)15-22-17-26(31-2)27(32-3)18-25(22)24/h4-12,15-18H,13-14H2,1-3H3,(H,29,30)
InChIKeyISDFXKMQLBYQOW-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.80
Rot. Bonds7

About 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide

6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide (PubChem CID 21209618) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide
PubChem CID21209618
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3ccccc3)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C28H27NO3/c1-19-9-11-21(12-10-19)24-16-23(28(30)29-14-13-20-7-5-4-6-8-20)15-22-17-26(31-2)27(32-3)18-25(22)24/h4-12,15-18H,13-14H2,1-3H3,(H,29,30)
InChIKeyISDFXKMQLBYQOW-UHFFFAOYSA-N
XLogP5.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
CID 21209585
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
3-methyl-5-(2-phenylethylcarbamoyl)benzoic acid
CID 68605911
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
3,5-bis(4-fluoro-3-methylphenyl)-4-(2-hydroxyethoxy)-N-(8-phenyloctyl)benzamide
CID 22237492
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide (CID 21209618) is 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide is COc1cc2cc(C(=O)NCCc3ccccc3)cc(-c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide?
The InChIKey is ISDFXKMQLBYQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO3/c1-19-9-11-21(12-10-19)24-16-23(28(30)29-14-13-20-7-5-4-6-8-20)15-22-17-26(31-2)27(32-3)18-25(22)24/h4-12,15-18H,13-14H2,1-3H3,(H,29,30).
What are the key properties of 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide?
6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 21209618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).