N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide

C14H24N2O3 — CID 2287959

IUPACN'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCO1)C(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(15-10-12-8-5-9-19-12)14(18)16-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyPLWOYMTWFSRMCG-LBPRGKRZSA-N
MW268.36 g/mol
LogP1.12
Rot. Bonds3

About N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide

N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 2287959) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID2287959
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCO1)C(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(15-10-12-8-5-9-19-12)14(18)16-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyPLWOYMTWFSRMCG-LBPRGKRZSA-N
XLogP1.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 2287959) is N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide is O=C(NC[C@@H]1CCCO1)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is PLWOYMTWFSRMCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(15-10-12-8-5-9-19-12)14(18)16-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1.
What are the key properties of N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 268.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 2287959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).