1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea

C18H24N2O3 — CID 111450680

IUPAC1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCc1cc(CNC(=O)NCC(CCO)c2ccccc2)c(C)o1
InChIInChI=1S/C18H24N2O3/c1-13-10-17(14(2)23-13)12-20-18(22)19-11-16(8-9-21)15-6-4-3-5-7-15/h3-7,10,16,21H,8-9,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyFPRZYTNRKKSBSI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.86
Rot. Bonds7

About 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea

1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea (PubChem CID 111450680) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
PubChem CID111450680
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCc1cc(CNC(=O)NCC(CCO)c2ccccc2)c(C)o1
InChIInChI=1S/C18H24N2O3/c1-13-10-17(14(2)23-13)12-20-18(22)19-11-16(8-9-21)15-6-4-3-5-7-15/h3-7,10,16,21H,8-9,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyFPRZYTNRKKSBSI-UHFFFAOYSA-N
XLogP2.86
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111454908
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111335746
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86952267
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450476
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
CID 86950294
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-(N-methylanilino)propyl]urea
CID 86952276
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 86952438
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
CID 71960718
3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86952615
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea (CID 111450680) is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea is Cc1cc(CNC(=O)NCC(CCO)c2ccccc2)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea?
The InChIKey is FPRZYTNRKKSBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-10-17(14(2)23-13)12-20-18(22)19-11-16(8-9-21)15-6-4-3-5-7-15/h3-7,10,16,21H,8-9,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea?
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea has a molecular weight of 316.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea is sourced from PubChem (CID 111450680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).