N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide

C17H31N3O2 — CID 162464365

IUPACN-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCC1NC(C2CCC(CNC(=O)C3CCCCC3)CC2)NO1
InChIInChI=1S/C17H31N3O2/c1-12-19-16(20-22-12)14-9-7-13(8-10-14)11-18-17(21)15-5-3-2-4-6-15/h12-16,19-20H,2-11H2,1H3,(H,18,21)
InChIKeyUTUMRKSZXKKSPV-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.29
Rot. Bonds4

About N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide

N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide (PubChem CID 162464365) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide
PubChem CID162464365
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCC1NC(C2CCC(CNC(=O)C3CCCCC3)CC2)NO1
InChIInChI=1S/C17H31N3O2/c1-12-19-16(20-22-12)14-9-7-13(8-10-14)11-18-17(21)15-5-3-2-4-6-15/h12-16,19-20H,2-11H2,1H3,(H,18,21)
InChIKeyUTUMRKSZXKKSPV-UHFFFAOYSA-N
XLogP2.29
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide
CID 153384028
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide (CID 162464365) is N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide is CC1NC(C2CCC(CNC(=O)C3CCCCC3)CC2)NO1.
What is the InChIKey of N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
The InChIKey is UTUMRKSZXKKSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12-19-16(20-22-12)14-9-7-13(8-10-14)11-18-17(21)15-5-3-2-4-6-15/h12-16,19-20H,2-11H2,1H3,(H,18,21).
What are the key properties of N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 162464365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).