N'-cyclododecyl-N-(5-hydroxypentyl)oxamide

C19H36N2O3 — CID 108517393

IUPACN'-cyclododecyl-N-(5-hydroxypentyl)oxamide
SMILESO=C(NCCCCCO)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H36N2O3/c22-16-12-8-11-15-20-18(23)19(24)21-17-13-9-6-4-2-1-3-5-7-10-14-17/h17,22H,1-16H2,(H,20,23)(H,21,24)
InChIKeyPTUPYNUHWSSVKU-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.05
Rot. Bonds6

About N'-cyclododecyl-N-(5-hydroxypentyl)oxamide

N'-cyclododecyl-N-(5-hydroxypentyl)oxamide (PubChem CID 108517393) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is N'-cyclododecyl-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-cyclododecyl-N-(5-hydroxypentyl)oxamide
PubChem CID108517393
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC NameN'-cyclododecyl-N-(5-hydroxypentyl)oxamide
SMILESO=C(NCCCCCO)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H36N2O3/c22-16-12-8-11-15-20-18(23)19(24)21-17-13-9-6-4-2-1-3-5-7-10-14-17/h17,22H,1-16H2,(H,20,23)(H,21,24)
InChIKeyPTUPYNUHWSSVKU-UHFFFAOYSA-N
XLogP3.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108504381
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
N-(5-hydroxypentyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522419
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
CID 108517389
(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide
CID 108831514
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652

Frequently Asked Questions

What is the IUPAC name of N'-cyclododecyl-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-cyclododecyl-N-(5-hydroxypentyl)oxamide (CID 108517393) is N'-cyclododecyl-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-cyclododecyl-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-cyclododecyl-N-(5-hydroxypentyl)oxamide is O=C(NCCCCCO)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N'-cyclododecyl-N-(5-hydroxypentyl)oxamide?
The InChIKey is PTUPYNUHWSSVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c22-16-12-8-11-15-20-18(23)19(24)21-17-13-9-6-4-2-1-3-5-7-10-14-17/h17,22H,1-16H2,(H,20,23)(H,21,24).
What are the key properties of N'-cyclododecyl-N-(5-hydroxypentyl)oxamide?
N'-cyclododecyl-N-(5-hydroxypentyl)oxamide has a molecular weight of 340.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclododecyl-N-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 108517393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).