2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide

C27H31N3O2 — CID 70829537

IUPAC2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NCc2ccccn2)CC1
InChIInChI=1S/C27H31N3O2/c1-32-25-13-6-5-12-24(25)26(31)30-20-27(21-9-3-2-4-10-21)16-14-22(15-17-27)29-19-23-11-7-8-18-28-23/h2-13,18,22,29H,14-17,19-20H2,1H3,(H,30,31)
InChIKeyBJIZQBQYIROXSE-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.49
Rot. Bonds8

About 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide

2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide (PubChem CID 70829537) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
PubChem CID70829537
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NCc2ccccn2)CC1
InChIInChI=1S/C27H31N3O2/c1-32-25-13-6-5-12-24(25)26(31)30-20-27(21-9-3-2-4-10-21)16-14-22(15-17-27)29-19-23-11-7-8-18-28-23/h2-13,18,22,29H,14-17,19-20H2,1H3,(H,30,31)
InChIKeyBJIZQBQYIROXSE-UHFFFAOYSA-N
XLogP4.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide
CID 58842700
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622
N-[[4-[(N-cyano-N'-methylcarbamimidoyl)amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842288
2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842388
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
2-methoxy-N-[[4-(methylamino)-1-phenylcyclohexyl]methyl]benzamide;2-methoxy-N-[[4-(methylsulfonylcarbamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 157499137
N-[[4-[[(cyanoamino)-(cyclopropylamino)methylidene]amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842452
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]-N-methylcarbamate
CID 18009457
N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842327

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide (CID 70829537) is 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NCc2ccccn2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is BJIZQBQYIROXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-32-25-13-6-5-12-24(25)26(31)30-20-27(21-9-3-2-4-10-21)16-14-22(15-17-27)29-19-23-11-7-8-18-28-23/h2-13,18,22,29H,14-17,19-20H2,1H3,(H,30,31).
What are the key properties of 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide?
2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 70829537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).