N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide

C28H28N2O5 — CID 176939001

IUPACN-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide
SMILESCCNC(=O)c1cccc2ccccc12.COc1cc(OC)cc(Oc2ccccc2NC=O)c1
InChIInChI=1S/C15H15NO4.C13H13NO/c1-18-11-7-12(19-2)9-13(8-11)20-15-6-4-3-5-14(15)16-10-17;1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-10H,1-2H3,(H,16,17);3-9H,2H2,1H3,(H,14,15)
InChIKeyIHBYQFXNPPYXNY-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.65
Rot. Bonds8

About N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide

N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide (PubChem CID 176939001) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide
PubChem CID176939001
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide
SMILESCCNC(=O)c1cccc2ccccc12.COc1cc(OC)cc(Oc2ccccc2NC=O)c1
InChIInChI=1S/C15H15NO4.C13H13NO/c1-18-11-7-12(19-2)9-13(8-11)20-15-6-4-3-5-14(15)16-10-17;1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-10H,1-2H3,(H,16,17);3-9H,2H2,1H3,(H,14,15)
InChIKeyIHBYQFXNPPYXNY-UHFFFAOYSA-N
XLogP5.65
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
CID 176939013
N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide
CID 176939034
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
CID 176939045
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
CID 169183052
3-methoxy-5-naphthalen-1-yloxyaniline
CID 80748267
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide (CID 176939001) is N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide is CCNC(=O)c1cccc2ccccc12.COc1cc(OC)cc(Oc2ccccc2NC=O)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide?
The InChIKey is IHBYQFXNPPYXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4.C13H13NO/c1-18-11-7-12(19-2)9-13(8-11)20-15-6-4-3-5-14(15)16-10-17;1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-10H,1-2H3,(H,16,17);3-9H,2H2,1H3,(H,14,15).
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide?
N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide is sourced from PubChem (CID 176939001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).