(4-ethenoxy-2-methylpentan-2-yl)urea

C9H18N2O2 — CID 154135773

IUPAC(4-ethenoxy-2-methylpentan-2-yl)urea
SMILESC=COC(C)CC(C)(C)NC(N)=O
InChIInChI=1S/C9H18N2O2/c1-5-13-7(2)6-9(3,4)11-8(10)12/h5,7H,1,6H2,2-4H3,(H3,10,11,12)
InChIKeyGOSUGJNCSWCLNM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.37
Rot. Bonds5

About (4-ethenoxy-2-methylpentan-2-yl)urea

(4-ethenoxy-2-methylpentan-2-yl)urea (PubChem CID 154135773) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4-ethenoxy-2-methylpentan-2-yl)urea.

Molecular Properties

Compound Name(4-ethenoxy-2-methylpentan-2-yl)urea
PubChem CID154135773
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(4-ethenoxy-2-methylpentan-2-yl)urea
SMILESC=COC(C)CC(C)(C)NC(N)=O
InChIInChI=1S/C9H18N2O2/c1-5-13-7(2)6-9(3,4)11-8(10)12/h5,7H,1,6H2,2-4H3,(H3,10,11,12)
InChIKeyGOSUGJNCSWCLNM-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (4-ethenoxy-2-methylpentan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenoxyethylurea
CID 19078685
2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol
CID 167472768
4-ethenoxy-2-isocyanato-2-methylpentane
CID 154092652
2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate
CID 141200915
(1-fluoro-2-methylpropan-2-yl)urea
CID 130684890
bis(1-ethenoxyethyl) butanedioate
CID 87645266
2-ethenoxybutane
CID 13172912
1-chloro-2-ethenoxypropane
CID 139939057
(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid
CID 166781014
pent-4-en-2-yl 2,2,2-triaminoacetate
CID 173458415
[(3S)-5-methylhex-1-en-3-yl] carbamate
CID 160680423
1,1-dihydroxyethylurea
CID 54031376

Frequently Asked Questions

What is the IUPAC name of (4-ethenoxy-2-methylpentan-2-yl)urea?
The IUPAC name of (4-ethenoxy-2-methylpentan-2-yl)urea (CID 154135773) is (4-ethenoxy-2-methylpentan-2-yl)urea.
What is the SMILES notation for (4-ethenoxy-2-methylpentan-2-yl)urea?
The canonical SMILES for (4-ethenoxy-2-methylpentan-2-yl)urea is C=COC(C)CC(C)(C)NC(N)=O.
What is the InChIKey of (4-ethenoxy-2-methylpentan-2-yl)urea?
The InChIKey is GOSUGJNCSWCLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5-13-7(2)6-9(3,4)11-8(10)12/h5,7H,1,6H2,2-4H3,(H3,10,11,12).
What are the key properties of (4-ethenoxy-2-methylpentan-2-yl)urea?
(4-ethenoxy-2-methylpentan-2-yl)urea has a molecular weight of 186.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenoxy-2-methylpentan-2-yl)urea is sourced from PubChem (CID 154135773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).