4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C16H30N2O2 — CID 109144333

IUPAC4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-4-10-17-15(19)13-5-7-14(8-6-13)16(20)18-11-9-12(2)3/h12-14H,4-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDVDILJWKXOWCBD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds7

About 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144333) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144333
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-4-10-17-15(19)13-5-7-14(8-6-13)16(20)18-11-9-12(2)3/h12-14H,4-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDVDILJWKXOWCBD-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-propylcyclooctanecarboxamide
CID 65022755
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144333) is 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)NCCC(C)C)CC1.
What is the InChIKey of 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is DVDILJWKXOWCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-10-17-15(19)13-5-7-14(8-6-13)16(20)18-11-9-12(2)3/h12-14H,4-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).