1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea

C17H26N4O2 — CID 100687236

IUPAC1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea
SMILESC=CC[C@@H](CC)NC(=O)NC1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-5-13(4-2)20-17(22)21-14-6-8-15(9-7-14)23-16-12-18-10-11-19-16/h3,10-15H,1,4-9H2,2H3,(H2,20,21,22)/t13-,14?,15?/m1/s1
InChIKeyXEJUWVNVVQWTPL-WLYUNCDWSA-N
MW318.42 g/mol
LogP2.82
Rot. Bonds7

About 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea

1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea (PubChem CID 100687236) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea
PubChem CID100687236
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea
SMILESC=CC[C@@H](CC)NC(=O)NC1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-5-13(4-2)20-17(22)21-14-6-8-15(9-7-14)23-16-12-18-10-11-19-16/h3,10-15H,1,4-9H2,2H3,(H2,20,21,22)/t13-,14?,15?/m1/s1
InChIKeyXEJUWVNVVQWTPL-WLYUNCDWSA-N
XLogP2.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyrazin-2-yloxycyclohexyl)ethenesulfonamide
CID 167791755
2-cyclopentyl-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626028
N-(4-pyrazin-2-yloxycyclohexyl)furan-2-carboxamide
CID 91626044
5-methyl-N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
CID 91626087
2-phenylmethoxy-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626095
3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide
CID 166418105
2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558966
N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 91626018
1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
CID 91626098
4-pyrazin-2-yloxycyclohexan-1-ol
CID 117051403
2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 154754030
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea (CID 100687236) is 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea is C=CC[C@@H](CC)NC(=O)NC1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea?
The InChIKey is XEJUWVNVVQWTPL-WLYUNCDWSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-5-13(4-2)20-17(22)21-14-6-8-15(9-7-14)23-16-12-18-10-11-19-16/h3,10-15H,1,4-9H2,2H3,(H2,20,21,22)/t13-,14?,15?/m1/s1.
What are the key properties of 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea?
1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea has a molecular weight of 318.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 100687236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).