N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide

C22H22N2O3 — CID 9094886

IUPACN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-3-24(15-21(25)23-19-10-12-20(27-2)13-11-19)22(26)18-9-8-16-6-4-5-7-17(16)14-18/h4-14H,3,15H2,1-2H3,(H,23,25)
InChIKeyWARXGGGUYFBZDI-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.95
Rot. Bonds6

About N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide

N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 9094886) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID9094886
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-3-24(15-21(25)23-19-10-12-20(27-2)13-11-19)22(26)18-9-8-16-6-4-5-7-17(16)14-18/h4-14H,3,15H2,1-2H3,(H,23,25)
InChIKeyWARXGGGUYFBZDI-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
GR-103691
CID 4302960
(S)-3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide
CID 9909448
N-(4-methoxyphenyl)-2-(1-naphthyl)acetamide
CID 835395
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
2-Naphthalenecarboxamide, N-(2-ethoxyphenyl)-
CID 78442
1-methoxy-N-(4-methoxyphenyl)-2-naphthamide
CID 684458
4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 131906
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenylphenyl)formamido]propanamide
CID 11306593
(2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]butanamide
CID 23648314

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide (CID 9094886) is N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is WARXGGGUYFBZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-24(15-21(25)23-19-10-12-20(27-2)13-11-19)22(26)18-9-8-16-6-4-5-7-17(16)14-18/h4-14H,3,15H2,1-2H3,(H,23,25).
What are the key properties of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide?
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 9094886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).