N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide

C20H38N2O3 — CID 108517389

IUPACN'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H38N2O3/c1-17(2)25-16-12-15-21-19(23)20(24)22-18-13-10-8-6-4-3-5-7-9-11-14-18/h17-18H,3-16H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCREVJZSJPTXXJK-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.71
Rot. Bonds6

About N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide

N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 108517389) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID108517389
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC NameN'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H38N2O3/c1-17(2)25-16-12-15-21-19(23)20(24)22-18-13-10-8-6-4-3-5-7-9-11-14-18/h17-18H,3-16H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCREVJZSJPTXXJK-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
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-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
N'-cyclododecyl-N-(5-hydroxypentyl)oxamide
CID 108517393
N-cyclopentyl-2-(4-propan-2-yloxybutylamino)acetamide
CID 114136865
N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108504381
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylate
CID 7316354
N'-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 11897657
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide
CID 51894478
cis-(1S,2R)-2-N-tert-butyl-1-N-(3-propan-2-yloxypropyl)cyclohexane-1,2-dicarboxamide
CID 46994442
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501

Frequently Asked Questions

What is the IUPAC name of N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide (CID 108517389) is N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide is CC(C)OCCCNC(=O)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is CREVJZSJPTXXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-17(2)25-16-12-15-21-19(23)20(24)22-18-13-10-8-6-4-3-5-7-9-11-14-18/h17-18H,3-16H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide?
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 354.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 108517389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).