1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109145314

IUPAC1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-14(2)13-22-20(24)17-5-7-18(8-6-17)21(25)23-19-11-9-16(10-12-19)15(3)4/h9-12,14-15,17-18H,5-8,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQIEABFIFCLCZIQ-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.33
Rot. Bonds6

About 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145314) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145314
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-14(2)13-22-20(24)17-5-7-18(8-6-17)21(25)23-19-11-9-16(10-12-19)15(3)4/h9-12,14-15,17-18H,5-8,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQIEABFIFCLCZIQ-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
CID 82262388
4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145381

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (CID 109145314) is 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is CC(C)CNC(=O)C1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is QIEABFIFCLCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-14(2)13-22-20(24)17-5-7-18(8-6-17)21(25)23-19-11-9-16(10-12-19)15(3)4/h9-12,14-15,17-18H,5-8,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).