1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea

C18H24N2O3 — CID 111478668

IUPAC1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC(C)(O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H24N2O3/c1-12-5-7-15(8-6-12)10-19-17(21)20-11-18(4,22)16-9-13(2)23-14(16)3/h5-9,22H,10-11H2,1-4H3,(H2,19,20,21)
InChIKeyKHDMIUAFEYBSQH-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.91
Rot. Bonds5

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

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 111478668) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID111478668
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC(C)(O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H24N2O3/c1-12-5-7-15(8-6-12)10-19-17(21)20-11-18(4,22)16-9-13(2)23-14(16)3/h5-9,22H,10-11H2,1-4H3,(H2,19,20,21)
InChIKeyKHDMIUAFEYBSQH-UHFFFAOYSA-N
XLogP2.91
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 111482799
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea
CID 111474071
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 96518439
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 111520032
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
(E)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 96567156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea (CID 111478668) is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCC(C)(O)c2cc(C)oc2C)cc1.
What is the InChIKey of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is KHDMIUAFEYBSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-5-7-15(8-6-12)10-19-17(21)20-11-18(4,22)16-9-13(2)23-14(16)3/h5-9,22H,10-11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea?
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 316.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 111478668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).