1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C23H28N2O3 — CID 78874508

IUPAC1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H28N2O3/c26-20(21-2-1-7-28-21)14-24-22(27)25-19-5-3-18(4-6-19)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17,20,26H,8-14H2,(H2,24,25,27)
InChIKeyDDKKQUFMBXIBHD-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.60
Rot. Bonds5

About 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 78874508) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID78874508
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H28N2O3/c26-20(21-2-1-7-28-21)14-24-22(27)25-19-5-3-18(4-6-19)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17,20,26H,8-14H2,(H2,24,25,27)
InChIKeyDDKKQUFMBXIBHD-UHFFFAOYSA-N
XLogP4.60
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111475157
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921396
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
butyl 4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 86993724
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 110896235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 78874508) is 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is DDKKQUFMBXIBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-20(21-2-1-7-28-21)14-24-22(27)25-19-5-3-18(4-6-19)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17,20,26H,8-14H2,(H2,24,25,27).
What are the key properties of 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 380.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 78874508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).