1-methyl-3-(7-methyloctyl)urea

C11H24N2O — CID 71899901

IUPAC1-methyl-3-(7-methyloctyl)urea
SMILESCNC(=O)NCCCCCCC(C)C
InChIInChI=1S/C11H24N2O/c1-10(2)8-6-4-5-7-9-13-11(14)12-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyAMLPTUCNNTVZLQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.52
Rot. Bonds7

About 1-methyl-3-(7-methyloctyl)urea

1-methyl-3-(7-methyloctyl)urea (PubChem CID 71899901) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-methyl-3-(7-methyloctyl)urea.

Molecular Properties

Compound Name1-methyl-3-(7-methyloctyl)urea
PubChem CID71899901
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-methyl-3-(7-methyloctyl)urea
SMILESCNC(=O)NCCCCCCC(C)C
InChIInChI=1S/C11H24N2O/c1-10(2)8-6-4-5-7-9-13-11(14)12-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyAMLPTUCNNTVZLQ-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
1-(6-methylheptyl)-3-[6-(6-methylheptylcarbamoylamino)hexa-2,4-diynyl]urea
CID 154630259
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
1-methyl-3-nonylurea
CID 91937244
2-chloro-N-(7-methyloctylcarbamoyl)propanamide
CID 114004357
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982
(2R)-3-methyl-2-(7-methyloctylcarbamoylamino)butanoic acid
CID 107817217
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(7-methyloctyl)urea?
The IUPAC name of 1-methyl-3-(7-methyloctyl)urea (CID 71899901) is 1-methyl-3-(7-methyloctyl)urea.
What is the SMILES notation for 1-methyl-3-(7-methyloctyl)urea?
The canonical SMILES for 1-methyl-3-(7-methyloctyl)urea is CNC(=O)NCCCCCCC(C)C.
What is the InChIKey of 1-methyl-3-(7-methyloctyl)urea?
The InChIKey is AMLPTUCNNTVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)8-6-4-5-7-9-13-11(14)12-3/h10H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-(7-methyloctyl)urea?
1-methyl-3-(7-methyloctyl)urea has a molecular weight of 200.33 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(7-methyloctyl)urea is sourced from PubChem (CID 71899901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).