N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide

C23H24N2O3 — CID 39964708

IUPACN-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OC)c3ccccc23)c1
InChIInChI=1S/C23H24N2O3/c1-4-25(5-2)23(27)16-9-8-10-17(15-16)24-22(26)20-13-14-21(28-3)19-12-7-6-11-18(19)20/h6-15H,4-5H2,1-3H3,(H,24,26)
InChIKeyNUIWHSRRQBRDEQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.58
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide (PubChem CID 39964708) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
PubChem CID39964708
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OC)c3ccccc23)c1
InChIInChI=1S/C23H24N2O3/c1-4-25(5-2)23(27)16-9-8-10-17(15-16)24-22(26)20-13-14-21(28-3)19-12-7-6-11-18(19)20/h6-15H,4-5H2,1-3H3,(H,24,26)
InChIKeyNUIWHSRRQBRDEQ-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 26712704
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 36835148
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide (CID 39964708) is N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OC)c3ccccc23)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide?
The InChIKey is NUIWHSRRQBRDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-25(5-2)23(27)16-9-8-10-17(15-16)24-22(26)20-13-14-21(28-3)19-12-7-6-11-18(19)20/h6-15H,4-5H2,1-3H3,(H,24,26).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 39964708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).