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

C22H32N2O3 — CID 109146102

IUPAC4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H32N2O3/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/h5-7,10,16-17,19H,2-4,8-9,11-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXFIAJKIVKCKFDN-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.57
Rot. Bonds6

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

4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109146102) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109146102
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H32N2O3/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/h5-7,10,16-17,19H,2-4,8-9,11-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXFIAJKIVKCKFDN-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106
trans-(1R,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945107
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
CID 110441771
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
(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
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109146102) is 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is COc1ccccc1CNC(=O)C1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is XFIAJKIVKCKFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/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/h5-7,10,16-17,19H,2-4,8-9,11-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).