3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea

C16H22N2O2 — CID 97048743

IUPAC3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](c1ccco1)N(C(=O)N[C@H]1CC=CCC1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-12(15-8-5-11-20-15)18(14-9-10-14)16(19)17-13-6-3-2-4-7-13/h2-3,5,8,11-14H,4,6-7,9-10H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyUNAOIQJTNVIHMU-OLZOCXBDSA-N
MW274.36 g/mol
LogP3.62
Rot. Bonds4

About 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea

3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea (PubChem CID 97048743) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea
PubChem CID97048743
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](c1ccco1)N(C(=O)N[C@H]1CC=CCC1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-12(15-8-5-11-20-15)18(14-9-10-14)16(19)17-13-6-3-2-4-7-13/h2-3,5,8,11-14H,4,6-7,9-10H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyUNAOIQJTNVIHMU-OLZOCXBDSA-N
XLogP3.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea with MolForge

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Related Compounds

1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
CID 97048807
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea
CID 97222800
3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide
CID 71922388
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 97048571
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75417029
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
CID 97048634
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425426
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048818

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea?
The IUPAC name of 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea (CID 97048743) is 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea is C[C@H](c1ccco1)N(C(=O)N[C@H]1CC=CCC1)C1CC1.
What is the InChIKey of 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea?
The InChIKey is UNAOIQJTNVIHMU-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(15-8-5-11-20-15)18(14-9-10-14)16(19)17-13-6-3-2-4-7-13/h2-3,5,8,11-14H,4,6-7,9-10H2,1H3,(H,17,19)/t12-,13+/m1/s1.
What are the key properties of 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea?
3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea has a molecular weight of 274.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 97048743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).