N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide

C18H31NO3 — CID 135072463

IUPACN-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide
SMILESCCCCCCCC1CC(C(=O)NC2CCCCC2)C(=O)O1
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-9-12-15-13-16(18(21)22-15)17(20)19-14-10-7-6-8-11-14/h14-16H,2-13H2,1H3,(H,19,20)
InChIKeyWMJGQKWVSZOVTI-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.73
Rot. Bonds8

About N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide

N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide (PubChem CID 135072463) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide
PubChem CID135072463
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC NameN-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide
SMILESCCCCCCCC1CC(C(=O)NC2CCCCC2)C(=O)O1
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-9-12-15-13-16(18(21)22-15)17(20)19-14-10-7-6-8-11-14/h14-16H,2-13H2,1H3,(H,19,20)
InChIKeyWMJGQKWVSZOVTI-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-oxo-5-pentyloxolane-3-carboxylic acid
CID 131751115
5-hexyl-3-hydroxyoxolan-2-one
CID 14303265
(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
CID 162965017
3-chloro-5-octyloxolan-2-one
CID 3017732
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 10665857
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-cyclohexyl-2-oxooxolane-3-carboxamide
CID 121221667
methyl 2-oxo-5-propyloxolane-3-carboxylate
CID 23093354
8-octyloxocan-2-one
CID 90108064
(3S,5R)-5-[7-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-propanoyloxolan-2-one
CID 162930297

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide (CID 135072463) is N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide is CCCCCCCC1CC(C(=O)NC2CCCCC2)C(=O)O1.
What is the InChIKey of N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide?
The InChIKey is WMJGQKWVSZOVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-2-3-4-5-9-12-15-13-16(18(21)22-15)17(20)19-14-10-7-6-8-11-14/h14-16H,2-13H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide?
N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide is sourced from PubChem (CID 135072463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).