4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide

C22H34N2O3 — CID 109149950

IUPAC4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-5-6-15-24(4)22(26)18-9-7-17(8-10-18)21(25)23-19-11-13-20(14-12-19)27-16(2)3/h11-14,16-18H,5-10,15H2,1-4H3,(H,23,25)
InChIKeyNFYBMROYNVOJQM-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.48
Rot. Bonds8

About 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide

4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149950) has the molecular formula C22H34N2O3 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149950
Molecular FormulaC22H34N2O3
Molecular Weight374.52 g/mol
Exact Mass374.26
IUPAC Name4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-5-6-15-24(4)22(26)18-9-7-17(8-10-18)21(25)23-19-11-13-20(14-12-19)27-16(2)3/h11-14,16-18H,5-10,15H2,1-4H3,(H,23,25)
InChIKeyNFYBMROYNVOJQM-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
1-(cyclopropanecarbonyl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 47044071
6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099577
5-oxo-1-pentyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113185733
4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150875
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 109147452
ethyl 2-[[4-[butyl(methyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109149984
1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
N-[6-[2-[butyl(methyl)amino]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175000

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109149950) is 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is CCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is NFYBMROYNVOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-5-6-15-24(4)22(26)18-9-7-17(8-10-18)21(25)23-19-11-13-20(14-12-19)27-16(2)3/h11-14,16-18H,5-10,15H2,1-4H3,(H,23,25).
What are the key properties of 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 374.52 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).