1-[8-(carbamoylamino)octyl]-3-methylurea

C11H24N4O2 — CID 129172713

IUPAC1-[8-(carbamoylamino)octyl]-3-methylurea
SMILESCNC(=O)NCCCCCCCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-13-11(17)15-9-7-5-3-2-4-6-8-14-10(12)16/h2-9H2,1H3,(H3,12,14,16)(H2,13,15,17)
InChIKeyLQQXVZPMAQYVSS-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.92
Rot. Bonds9

About 1-[8-(carbamoylamino)octyl]-3-methylurea

1-[8-(carbamoylamino)octyl]-3-methylurea (PubChem CID 129172713) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[8-(carbamoylamino)octyl]-3-methylurea.

Molecular Properties

Compound Name1-[8-(carbamoylamino)octyl]-3-methylurea
PubChem CID129172713
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-[8-(carbamoylamino)octyl]-3-methylurea
SMILESCNC(=O)NCCCCCCCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-13-11(17)15-9-7-5-3-2-4-6-8-14-10(12)16/h2-9H2,1H3,(H3,12,14,16)(H2,13,15,17)
InChIKeyLQQXVZPMAQYVSS-UHFFFAOYSA-N
XLogP0.92
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-nonylurea
CID 91937244
1-methyl-3-(7-methyloctyl)urea
CID 71899901
1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
CID 129172648
12-hydroxydodecylurea
CID 57265418
1-methyl-3-(7-oxononyl)urea
CID 158424786
CID 59151849
CID 59151849
3-(carbamoylamino)-N-methylpropanamide
CID 60667661
1-butyl-3-methylurea;hydrochloride
CID 20501295
pentylurea;hydrate
CID 172845599
lithium;6-(methylcarbamoylamino)hexanoate;phosphanide
CID 59895303
6-(methylcarbamoylamino)hexane-1-sulfinate
CID 148533155
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971

Frequently Asked Questions

What is the IUPAC name of 1-[8-(carbamoylamino)octyl]-3-methylurea?
The IUPAC name of 1-[8-(carbamoylamino)octyl]-3-methylurea (CID 129172713) is 1-[8-(carbamoylamino)octyl]-3-methylurea.
What is the SMILES notation for 1-[8-(carbamoylamino)octyl]-3-methylurea?
The canonical SMILES for 1-[8-(carbamoylamino)octyl]-3-methylurea is CNC(=O)NCCCCCCCCNC(N)=O.
What is the InChIKey of 1-[8-(carbamoylamino)octyl]-3-methylurea?
The InChIKey is LQQXVZPMAQYVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-13-11(17)15-9-7-5-3-2-4-6-8-14-10(12)16/h2-9H2,1H3,(H3,12,14,16)(H2,13,15,17).
What are the key properties of 1-[8-(carbamoylamino)octyl]-3-methylurea?
1-[8-(carbamoylamino)octyl]-3-methylurea has a molecular weight of 244.34 g/mol, XLogP of 0.92, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(carbamoylamino)octyl]-3-methylurea is sourced from PubChem (CID 129172713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).