N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide

C26H24N2O3 — CID 176939045

IUPACN-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
SMILESCNc1ccccc1Oc1ccccc1.O=CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C13H11NO2.C13H13NO/c15-9-8-14-13(16)12-7-3-5-10-4-1-2-6-11(10)12;1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h1-7,9H,8H2,(H,14,16);2-10,14H,1H3
InChIKeyNWQGHFYBVLKOGD-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.29
Rot. Bonds6

About N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide

N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide (PubChem CID 176939045) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
PubChem CID176939045
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
SMILESCNc1ccccc1Oc1ccccc1.O=CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C13H11NO2.C13H13NO/c15-9-8-14-13(16)12-7-3-5-10-4-1-2-6-11(10)12;1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h1-7,9H,8H2,(H,14,16);2-10,14H,1H3
InChIKeyNWQGHFYBVLKOGD-UHFFFAOYSA-N
XLogP5.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
CID 169183052
ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline
CID 169183134
N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide
CID 176939001
N-methyl-2-phenoxyaniline
CID 22961955
N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide
CID 169183122
N-[2-oxo-2-(2-phenoxyanilino)ethyl]isoquinoline-8-carboxamide
CID 176939000
N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
CID 176939013
N-[2-oxo-2-(2-phenoxyanilino)ethyl]isoquinoline-4-carboxamide
CID 126718473
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106191072

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide?
The IUPAC name of N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide (CID 176939045) is N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide is CNc1ccccc1Oc1ccccc1.O=CCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide?
The InChIKey is NWQGHFYBVLKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C13H13NO/c15-9-8-14-13(16)12-7-3-5-10-4-1-2-6-11(10)12;1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h1-7,9H,8H2,(H,14,16);2-10,14H,1H3.
What are the key properties of N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide?
N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 176939045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).