1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea

C18H24N2O3 — CID 111454135

IUPAC1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H24N2O3/c1-13(11-14(2)21)12-19-18(22)20-17(16-9-6-10-23-16)15-7-4-3-5-8-15/h3-10,13-14,17,21H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyGYUFCUJZQIRUDU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.08
Rot. Bonds7

About 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea

1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 111454135) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID111454135
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H24N2O3/c1-13(11-14(2)21)12-19-18(22)20-17(16-9-6-10-23-16)15-7-4-3-5-8-15/h3-10,13-14,17,21H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyGYUFCUJZQIRUDU-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790484
(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide
CID 124854260
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 104902855
(2S)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 61180250
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide
CID 65225161
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea (CID 111454135) is 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea is CC(O)CC(C)CNC(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is GYUFCUJZQIRUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(11-14(2)21)12-19-18(22)20-17(16-9-6-10-23-16)15-7-4-3-5-8-15/h3-10,13-14,17,21H,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea?
1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 316.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 111454135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).