1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide

C22H26N2O3 — CID 109148544

IUPAC1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-27-20-10-6-5-7-18(20)15-23-21(25)16-11-13-17(14-12-16)22(26)24-19-8-3-2-4-9-19/h2-10,16-17H,11-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyILEBWHTUAXIDJG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.76
Rot. Bonds6

About 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide

1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109148544) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109148544
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-27-20-10-6-5-7-18(20)15-23-21(25)16-11-13-17(14-12-16)22(26)24-19-8-3-2-4-9-19/h2-10,16-17H,11-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyILEBWHTUAXIDJG-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 135102017
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136490
4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148040
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide (CID 109148544) is 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide is COc1ccccc1CNC(=O)C1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is ILEBWHTUAXIDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-10-6-5-7-18(20)15-23-21(25)16-11-13-17(14-12-16)22(26)24-19-8-3-2-4-9-19/h2-10,16-17H,11-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).