1-cyclohexyl-3-(3-ethenoxypropyl)urea

C12H22N2O2 — CID 103601350

IUPAC1-cyclohexyl-3-(3-ethenoxypropyl)urea
SMILESC=COCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-16-10-6-9-13-12(15)14-11-7-4-3-5-8-11/h2,11H,1,3-10H2,(H2,13,14,15)
InChIKeyPECIFDHMAGNITL-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.17
Rot. Bonds6

About 1-cyclohexyl-3-(3-ethenoxypropyl)urea

1-cyclohexyl-3-(3-ethenoxypropyl)urea (PubChem CID 103601350) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-ethenoxypropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-ethenoxypropyl)urea
PubChem CID103601350
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclohexyl-3-(3-ethenoxypropyl)urea
SMILESC=COCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-16-10-6-9-13-12(15)14-11-7-4-3-5-8-11/h2,11H,1,3-10H2,(H2,13,14,15)
InChIKeyPECIFDHMAGNITL-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.17
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

2-(cyclopentylamino)-N-(3-ethenoxypropyl)acetamide
CID 61273703
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
CID 12683643
1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea
CID 48915772
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
CID 106308098

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-ethenoxypropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-ethenoxypropyl)urea (CID 103601350) is 1-cyclohexyl-3-(3-ethenoxypropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-ethenoxypropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-ethenoxypropyl)urea is C=COCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-ethenoxypropyl)urea?
The InChIKey is PECIFDHMAGNITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-10-6-9-13-12(15)14-11-7-4-3-5-8-11/h2,11H,1,3-10H2,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(3-ethenoxypropyl)urea?
1-cyclohexyl-3-(3-ethenoxypropyl)urea has a molecular weight of 226.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-ethenoxypropyl)urea is sourced from PubChem (CID 103601350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).