N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide

C23H25NO4 — CID 18131988

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C23H25NO4/c1-5-28-21-14-17-10-7-6-9-16(17)13-19(21)23(25)24(2)15-18-11-8-12-20(26-3)22(18)27-4/h6-14H,5,15H2,1-4H3
InChIKeyXAVJECWEZQGDQS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.53
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide (PubChem CID 18131988) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
PubChem CID18131988
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C23H25NO4/c1-5-28-21-14-17-10-7-6-9-16(17)13-19(21)23(25)24(2)15-18-11-8-12-20(26-3)22(18)27-4/h6-14H,5,15H2,1-4H3
InChIKeyXAVJECWEZQGDQS-UHFFFAOYSA-N
XLogP4.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18267904
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide (CID 18131988) is N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide is CCOc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is XAVJECWEZQGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-5-28-21-14-17-10-7-6-9-16(17)13-19(21)23(25)24(2)15-18-11-8-12-20(26-3)22(18)27-4/h6-14H,5,15H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 18131988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).