2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one

C25H27NO3 — CID 23737658

IUPAC2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one
SMILESCOc1ccc(OC)c(NC(c2ccc3ccccc3c2)C2CCCCC2=O)c1
InChIInChI=1S/C25H27NO3/c1-28-20-13-14-24(29-2)22(16-20)26-25(21-9-5-6-10-23(21)27)19-12-11-17-7-3-4-8-18(17)15-19/h3-4,7-8,11-16,21,25-26H,5-6,9-10H2,1-2H3
InChIKeyIBENDVKSQHSRHG-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.77
Rot. Bonds6

About 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one

2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one (PubChem CID 23737658) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one
PubChem CID23737658
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one
SMILESCOc1ccc(OC)c(NC(c2ccc3ccccc3c2)C2CCCCC2=O)c1
InChIInChI=1S/C25H27NO3/c1-28-20-13-14-24(29-2)22(16-20)26-25(21-9-5-6-10-23(21)27)19-12-11-17-7-3-4-8-18(17)15-19/h3-4,7-8,11-16,21,25-26H,5-6,9-10H2,1-2H3
InChIKeyIBENDVKSQHSRHG-UHFFFAOYSA-N
XLogP5.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one 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

2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
(2S)-2-[(R)-(2,4-dimethoxyphenyl)-hydroxymethyl]cyclohexan-1-one
CID 135019943
1-[(2,5-dimethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-2-carboxylic acid
CID 5040339
2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
CID 132822025
(2S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]cyclohexan-1-one
CID 11594291
dimethyl 2-[(S)-(4-methoxyphenyl)-[(1S)-2-oxocyclopentyl]methyl]propanedioate
CID 71500504
(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 867578
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
CID 851711
[(1S)-2-oxocyclohexyl] 3-methoxynaphthalene-2-carboxylate
CID 2435593

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one?
The IUPAC name of 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one (CID 23737658) is 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one is COc1ccc(OC)c(NC(c2ccc3ccccc3c2)C2CCCCC2=O)c1.
What is the InChIKey of 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one?
The InChIKey is IBENDVKSQHSRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-28-20-13-14-24(29-2)22(16-20)26-25(21-9-5-6-10-23(21)27)19-12-11-17-7-3-4-8-18(17)15-19/h3-4,7-8,11-16,21,25-26H,5-6,9-10H2,1-2H3.
What are the key properties of 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one?
2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one has a molecular weight of 389.50 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyanilino)-naphthalen-2-ylmethyl]cyclohexan-1-one is sourced from PubChem (CID 23737658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).