1-(3-ethenoxypropyl)-3-propan-2-ylurea

C9H18N2O2 — CID 59741503

IUPAC1-(3-ethenoxypropyl)-3-propan-2-ylurea
SMILESC=COCCCNC(=O)NC(C)C
InChIInChI=1S/C9H18N2O2/c1-4-13-7-5-6-10-9(12)11-8(2)3/h4,8H,1,5-7H2,2-3H3,(H2,10,11,12)
InChIKeyRRECXBZZZDOPQG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.24
Rot. Bonds6

About 1-(3-ethenoxypropyl)-3-propan-2-ylurea

1-(3-ethenoxypropyl)-3-propan-2-ylurea (PubChem CID 59741503) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-ethenoxypropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-ethenoxypropyl)-3-propan-2-ylurea
PubChem CID59741503
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-ethenoxypropyl)-3-propan-2-ylurea
SMILESC=COCCCNC(=O)NC(C)C
InChIInChI=1S/C9H18N2O2/c1-4-13-7-5-6-10-9(12)11-8(2)3/h4,8H,1,5-7H2,2-3H3,(H2,10,11,12)
InChIKeyRRECXBZZZDOPQG-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(3-ethenoxypropyl)propanamide
CID 78973332
3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
CID 62726850
5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964547
2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
CID 87995485
N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112991240
1-cyclohexyl-3-(3-ethenoxypropyl)urea
CID 103601350
N-(3-ethenoxypropyl)-2-(methylamino)acetamide
CID 61274455
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
1-hexyl-3-propan-2-ylurea
CID 23264656
N-(3-ethenoxypropyl)-2-(ethylamino)-2-methylpropanamide
CID 62837032
N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596637

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenoxypropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(3-ethenoxypropyl)-3-propan-2-ylurea (CID 59741503) is 1-(3-ethenoxypropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-ethenoxypropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3-ethenoxypropyl)-3-propan-2-ylurea is C=COCCCNC(=O)NC(C)C.
What is the InChIKey of 1-(3-ethenoxypropyl)-3-propan-2-ylurea?
The InChIKey is RRECXBZZZDOPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-13-7-5-6-10-9(12)11-8(2)3/h4,8H,1,5-7H2,2-3H3,(H2,10,11,12).
What are the key properties of 1-(3-ethenoxypropyl)-3-propan-2-ylurea?
1-(3-ethenoxypropyl)-3-propan-2-ylurea has a molecular weight of 186.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenoxypropyl)-3-propan-2-ylurea is sourced from PubChem (CID 59741503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).