1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea

C14H26N2O2 — CID 111120763

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-2-6-13(17)11-16-14(18)15-10-9-12-7-4-3-5-8-12/h7,13,17H,2-6,8-11H2,1H3,(H2,15,16,18)
InChIKeyZZGACQSOLHHLPR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea (PubChem CID 111120763) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea
PubChem CID111120763
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-2-6-13(17)11-16-14(18)15-10-9-12-7-4-3-5-8-12/h7,13,17H,2-6,8-11H2,1H3,(H2,15,16,18)
InChIKeyZZGACQSOLHHLPR-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 107856038
(2S)-4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107855990
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]hexanoic acid
CID 107856061
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
3-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 114154444
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106178401
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea (CID 111120763) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea?
The InChIKey is ZZGACQSOLHHLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-6-13(17)11-16-14(18)15-10-9-12-7-4-3-5-8-12/h7,13,17H,2-6,8-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea is sourced from PubChem (CID 111120763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).