N'-benzyl-N-cyclododecyl-N'-methyloxamide

C22H34N2O2 — CID 108517350

IUPACN'-benzyl-N-cyclododecyl-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34N2O2/c1-24(18-19-14-10-9-11-15-19)22(26)21(25)23-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,20H,2-8,12-13,16-18H2,1H3,(H,23,25)
InChIKeyIIQZMNBFYNWDRT-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.43
Rot. Bonds3

About N'-benzyl-N-cyclododecyl-N'-methyloxamide

N'-benzyl-N-cyclododecyl-N'-methyloxamide (PubChem CID 108517350) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N'-benzyl-N-cyclododecyl-N'-methyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-cyclododecyl-N'-methyloxamide
PubChem CID108517350
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN'-benzyl-N-cyclododecyl-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34N2O2/c1-24(18-19-14-10-9-11-15-19)22(26)21(25)23-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,20H,2-8,12-13,16-18H2,1H3,(H,23,25)
InChIKeyIIQZMNBFYNWDRT-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-cyclohexylpropanamide;hydroiodide
CID 110951957
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
N-cyclohexyl-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108504394
2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
CID 2976790
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
CID 51111526
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
N-benzyl-2-[(2R,3R,4S,5R)-5-[(cyclohexylcarbamoylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162808479

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-cyclododecyl-N'-methyloxamide?
The IUPAC name of N'-benzyl-N-cyclododecyl-N'-methyloxamide (CID 108517350) is N'-benzyl-N-cyclododecyl-N'-methyloxamide.
What is the SMILES notation for N'-benzyl-N-cyclododecyl-N'-methyloxamide?
The canonical SMILES for N'-benzyl-N-cyclododecyl-N'-methyloxamide is CN(Cc1ccccc1)C(=O)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N'-benzyl-N-cyclododecyl-N'-methyloxamide?
The InChIKey is IIQZMNBFYNWDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-24(18-19-14-10-9-11-15-19)22(26)21(25)23-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,20H,2-8,12-13,16-18H2,1H3,(H,23,25).
What are the key properties of N'-benzyl-N-cyclododecyl-N'-methyloxamide?
N'-benzyl-N-cyclododecyl-N'-methyloxamide has a molecular weight of 358.53 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-cyclododecyl-N'-methyloxamide is sourced from PubChem (CID 108517350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).