N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide

C27H24N2O4 — CID 176939013

IUPACN-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
SMILESCOc1cc(C)cc(Oc2ccccc2NC(=O)CNC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C27H24N2O4/c1-18-14-20(32-2)16-21(15-18)33-25-13-6-5-12-24(25)29-26(30)17-28-27(31)23-11-7-9-19-8-3-4-10-22(19)23/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyCRSRZIPWPRZCBT-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.32
Rot. Bonds7

About N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide

N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 176939013) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID176939013
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC NameN-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
SMILESCOc1cc(C)cc(Oc2ccccc2NC(=O)CNC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C27H24N2O4/c1-18-14-20(32-2)16-21(15-18)33-25-13-6-5-12-24(25)29-26(30)17-28-27(31)23-11-7-9-19-8-3-4-10-22(19)23/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyCRSRZIPWPRZCBT-UHFFFAOYSA-N
XLogP5.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide
CID 176939001
N-[2-oxo-2-(2-phenoxyanilino)ethyl]isoquinoline-8-carboxamide
CID 176939000
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
N-[2-oxo-2-(2-phenoxyanilino)ethyl]isoquinoline-4-carboxamide
CID 126718473
N-[2-[2-(3-methoxyphenoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 169183147
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
2,3-dimethoxy-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713943
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
2-(3-methoxy-5-methylphenoxy)-N-methylaniline
CID 176939009
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
CID 169183052

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide (CID 176939013) is N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide is COc1cc(C)cc(Oc2ccccc2NC(=O)CNC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is CRSRZIPWPRZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-18-14-20(32-2)16-21(15-18)33-25-13-6-5-12-24(25)29-26(30)17-28-27(31)23-11-7-9-19-8-3-4-10-22(19)23/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide?
N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxy-5-methylphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 176939013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).