1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea

C20H30N2O — CID 3433248

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea
SMILESCCc1cccc(C(C)C)c1NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H30N2O/c1-4-17-11-8-12-18(15(2)3)19(17)22-20(23)21-14-13-16-9-6-5-7-10-16/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyUJHBEMKFGWNETF-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.38
Rot. Bonds6

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea (PubChem CID 3433248) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea
PubChem CID3433248
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea
SMILESCCc1cccc(C(C)C)c1NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H30N2O/c1-4-17-11-8-12-18(15(2)3)19(17)22-20(23)21-14-13-16-9-6-5-7-10-16/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyUJHBEMKFGWNETF-UHFFFAOYSA-N
XLogP5.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2,6-dimethylphenyl)urea
CID 4995212
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972191
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 60577294
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
CID 3772878
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
CID 3697295

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea (CID 3433248) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea is CCc1cccc(C(C)C)c1NC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea?
The InChIKey is UJHBEMKFGWNETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-17-11-8-12-18(15(2)3)19(17)22-20(23)21-14-13-16-9-6-5-7-10-16/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea has a molecular weight of 314.47 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 3433248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).