4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C15H28N2O2 — CID 109144258

IUPAC4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)NCC(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-4-9-16-14(18)12-5-7-13(8-6-12)15(19)17-10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLNMFVKMIFACVTF-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds6

About 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144258) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144258
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)NCC(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-4-9-16-14(18)12-5-7-13(8-6-12)15(19)17-10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLNMFVKMIFACVTF-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-propylcyclooctanecarboxamide
CID 65022755
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-methylpropylcarbamoyl)cyclopropanecarboxamide
CID 110865956
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144258) is 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)NCC(C)C)CC1.
What is the InChIKey of 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is LNMFVKMIFACVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-9-16-14(18)12-5-7-13(8-6-12)15(19)17-10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 268.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).