1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea

C19H30N2O3 — CID 71869795

IUPAC1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
SMILESCC(O)CC(C)(C)CNC(=O)NCC1CCOC1c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-14(22)11-19(2,3)13-21-18(23)20-12-16-9-10-24-17(16)15-7-5-4-6-8-15/h4-8,14,16-17,22H,9-13H2,1-3H3,(H2,20,21,23)
InChIKeyYGFROOGMGKGCSD-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.86
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea

1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea (PubChem CID 71869795) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
PubChem CID71869795
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
SMILESCC(O)CC(C)(C)CNC(=O)NCC1CCOC1c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-14(22)11-19(2,3)13-21-18(23)20-12-16-9-10-24-17(16)15-7-5-4-6-8-15/h4-8,14,16-17,22H,9-13H2,1-3H3,(H2,20,21,23)
InChIKeyYGFROOGMGKGCSD-UHFFFAOYSA-N
XLogP2.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea (CID 71869795) is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea is CC(O)CC(C)(C)CNC(=O)NCC1CCOC1c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
The InChIKey is YGFROOGMGKGCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(22)11-19(2,3)13-21-18(23)20-12-16-9-10-24-17(16)15-7-5-4-6-8-15/h4-8,14,16-17,22H,9-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea has a molecular weight of 334.46 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-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea is sourced from PubChem (CID 71869795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).