N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide

C19H33N3O3 — CID 21211624

IUPACN'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C19H33N3O3/c23-18(20-15-17-13-10-14-25-17)19(24)22-21-16-11-8-6-4-2-1-3-5-7-9-12-16/h17H,1-15H2,(H,20,23)(H,22,24)
InChIKeyVBRZNCPGUUDLEW-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.06
Rot. Bonds3

About N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide

N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 21211624) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID21211624
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C19H33N3O3/c23-18(20-15-17-13-10-14-25-17)19(24)22-21-16-11-8-6-4-2-1-3-5-7-9-12-16/h17H,1-15H2,(H,20,23)(H,22,24)
InChIKeyVBRZNCPGUUDLEW-UHFFFAOYSA-N
XLogP3.06
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
2-[[(2R)-oxolan-2-yl]methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 40951021
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 8896296
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7031868
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 94846879
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904

Frequently Asked Questions

What is the IUPAC name of N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide (CID 21211624) is N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)NN=C1CCCCCCCCCCC1.
What is the InChIKey of N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is VBRZNCPGUUDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c23-18(20-15-17-13-10-14-25-17)19(24)22-21-16-11-8-6-4-2-1-3-5-7-9-12-16/h17H,1-15H2,(H,20,23)(H,22,24).
What are the key properties of N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide?
N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 351.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 21211624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).