1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea

C19H30N2O3 — CID 111428448

IUPAC1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCC(C)(C)C1OCCCC1CNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)17-15(10-7-11-24-17)12-20-18(23)21-16(13-22)14-8-5-4-6-9-14/h4-6,8-9,15-17,22H,7,10-13H2,1-3H3,(H2,20,21,23)
InChIKeyHZRISEDBWXEEFX-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.86
Rot. Bonds5

About 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 111428448) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID111428448
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCC(C)(C)C1OCCCC1CNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)17-15(10-7-11-24-17)12-20-18(23)21-16(13-22)14-8-5-4-6-9-14/h4-6,8-9,15-17,22H,7,10-13H2,1-3H3,(H2,20,21,23)
InChIKeyHZRISEDBWXEEFX-UHFFFAOYSA-N
XLogP2.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

1-[(1R)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124505433
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124622593
3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
CID 119951819
N-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86971606
1-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-3-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]urea
CID 99809107
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 99830495
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 99809011
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110894926
1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 124832309

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 111428448) is 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea is CC(C)(C)C1OCCCC1CNC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is HZRISEDBWXEEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)17-15(10-7-11-24-17)12-20-18(23)21-16(13-22)14-8-5-4-6-9-14/h4-6,8-9,15-17,22H,7,10-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 334.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 111428448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).