(decanoylamino)urea

C11H23N3O2 — CID 65426818

IUPAC(decanoylamino)urea
SMILESCCCCCCCCCC(=O)NNC(N)=O
InChIInChI=1S/C11H23N3O2/c1-2-3-4-5-6-7-8-9-10(15)13-14-11(12)16/h2-9H2,1H3,(H,13,15)(H3,12,14,16)
InChIKeySJSQLCHRUHQAFF-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.83
Rot. Bonds8

About (decanoylamino)urea

(decanoylamino)urea (PubChem CID 65426818) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (decanoylamino)urea.

Molecular Properties

Compound Name(decanoylamino)urea
PubChem CID65426818
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(decanoylamino)urea
SMILESCCCCCCCCCC(=O)NNC(N)=O
InChIInChI=1S/C11H23N3O2/c1-2-3-4-5-6-7-8-9-10(15)13-14-11(12)16/h2-9H2,1H3,(H,13,15)(H3,12,14,16)
InChIKeySJSQLCHRUHQAFF-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N'-propanoylundecanehydrazide
CID 174995270
N-carbamoyloctanamide
CID 24740663
N'-(2-chloroacetyl)octanehydrazide
CID 5171797
2-(2-octacosanoylhydrazinyl)acetamide
CID 175532642
2-(2-octanoylhydrazinyl)-2-oxoacetic acid
CID 175747026
5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
CID 4955593
1-methyl-3-(octadecanoylamino)thiourea
CID 4189426
N-decanoyldecanamide
CID 87914075
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680

Frequently Asked Questions

What is the IUPAC name of (decanoylamino)urea?
The IUPAC name of (decanoylamino)urea (CID 65426818) is (decanoylamino)urea.
What is the SMILES notation for (decanoylamino)urea?
The canonical SMILES for (decanoylamino)urea is CCCCCCCCCC(=O)NNC(N)=O.
What is the InChIKey of (decanoylamino)urea?
The InChIKey is SJSQLCHRUHQAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-3-4-5-6-7-8-9-10(15)13-14-11(12)16/h2-9H2,1H3,(H,13,15)(H3,12,14,16).
What are the key properties of (decanoylamino)urea?
(decanoylamino)urea has a molecular weight of 229.32 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (decanoylamino)urea is sourced from PubChem (CID 65426818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).