1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide

C22H34N2O3 — CID 109149770

IUPAC1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C22H34N2O3/c1-15(2)13-14-23-21(25)17-9-11-18(12-10-17)22(26)24-19-7-5-6-8-20(19)27-16(3)4/h5-8,15-18H,9-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFUULBLHCHQPRMG-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.38
Rot. Bonds8

About 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide

1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149770) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149770
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C22H34N2O3/c1-15(2)13-14-23-21(25)17-9-11-18(12-10-17)22(26)24-19-7-5-6-8-20(19)27-16(3)4/h5-8,15-18H,9-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFUULBLHCHQPRMG-UHFFFAOYSA-N
XLogP4.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149790
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
2-N-(2-methylpropyl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131536
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
CID 46761350
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 60928509
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109149770) is 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is CC(C)CCNC(=O)C1CCC(C(=O)Nc2ccccc2OC(C)C)CC1.
What is the InChIKey of 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is FUULBLHCHQPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15(2)13-14-23-21(25)17-9-11-18(12-10-17)22(26)24-19-7-5-6-8-20(19)27-16(3)4/h5-8,15-18H,9-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 374.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).