1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea

C18H22N2O3 — CID 121085634

IUPAC1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(O)(c2ccco2)C2CC2)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-5-8-15(10-13(12)2)20-17(21)19-11-18(22,14-6-7-14)16-4-3-9-23-16/h3-5,8-10,14,22H,6-7,11H2,1-2H3,(H2,19,20,21)
InChIKeyDRXXPXDHCNIWOM-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea

1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 121085634) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
PubChem CID121085634
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(O)(c2ccco2)C2CC2)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-5-8-15(10-13(12)2)20-17(21)19-11-18(22,14-6-7-14)16-4-3-9-23-16/h3-5,8-10,14,22H,6-7,11H2,1-2H3,(H2,19,20,21)
InChIKeyDRXXPXDHCNIWOM-UHFFFAOYSA-N
XLogP3.32
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 121085653
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781539
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 121085621
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085471
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 71781476
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea (CID 121085634) is 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCC(O)(c2ccco2)C2CC2)cc1C.
What is the InChIKey of 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is DRXXPXDHCNIWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-5-8-15(10-13(12)2)20-17(21)19-11-18(22,14-6-7-14)16-4-3-9-23-16/h3-5,8-10,14,22H,6-7,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea?
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 314.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 121085634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).