1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea

C14H28N2O2 — CID 156566710

IUPAC1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea
SMILESCC(C)COC/C=C/CCCNC(=O)NC(C)C
InChIInChI=1S/C14H28N2O2/c1-12(2)11-18-10-8-6-5-7-9-15-14(17)16-13(3)4/h6,8,12-13H,5,7,9-11H2,1-4H3,(H2,15,16,17)/b8-6+
InChIKeyKWYNEEMRJVQCRK-SOFGYWHQSA-N
MW256.39 g/mol
LogP2.70
Rot. Bonds9

About 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea

1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea (PubChem CID 156566710) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea
PubChem CID156566710
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea
SMILESCC(C)COC/C=C/CCCNC(=O)NC(C)C
InChIInChI=1S/C14H28N2O2/c1-12(2)11-18-10-8-6-5-7-9-15-14(17)16-13(3)4/h6,8,12-13H,5,7,9-11H2,1-4H3,(H2,15,16,17)/b8-6+
InChIKeyKWYNEEMRJVQCRK-SOFGYWHQSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 8-(2-methylpropoxy)oct-6-enoate
CID 159374160
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
1-hexyl-3-propan-2-ylurea
CID 23264656
(2S)-3,3-dimethyl-2-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 103994527
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
1-(4-azidobutyl)-3-propan-2-ylurea
CID 106386969

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea (CID 156566710) is 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea is CC(C)COC/C=C/CCCNC(=O)NC(C)C.
What is the InChIKey of 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea?
The InChIKey is KWYNEEMRJVQCRK-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)11-18-10-8-6-5-7-9-15-14(17)16-13(3)4/h6,8,12-13H,5,7,9-11H2,1-4H3,(H2,15,16,17)/b8-6+.
What are the key properties of 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea?
1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea has a molecular weight of 256.39 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea is sourced from PubChem (CID 156566710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).