1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea

C20H32N2O3 — CID 110028480

IUPAC1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea
SMILESCCCC(C)(CO)NC(=O)NC(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H32N2O3/c1-3-11-20(2,15-23)22-19(24)21-18(17-7-5-4-6-8-17)14-16-9-12-25-13-10-16/h4-8,16,18,23H,3,9-15H2,1-2H3,(H2,21,22,24)
InChIKeyCRYYWTPGRZRVEU-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.39
Rot. Bonds8

About 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea

1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea (PubChem CID 110028480) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea
PubChem CID110028480
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea
SMILESCCCC(C)(CO)NC(=O)NC(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H32N2O3/c1-3-11-20(2,15-23)22-19(24)21-18(17-7-5-4-6-8-17)14-16-9-12-25-13-10-16/h4-8,16,18,23H,3,9-15H2,1-2H3,(H2,21,22,24)
InChIKeyCRYYWTPGRZRVEU-UHFFFAOYSA-N
XLogP3.39
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028474
N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
CID 110001751
3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
CID 110027227
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146107558
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(1R)-2-methylsulfanyl-1-phenylethyl]urea
CID 97321334
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
2-(3-methylbutyl)-1-[2-(oxan-4-yl)-1-phenylethyl]guanidine
CID 110027175
1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146102321
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea (CID 110028480) is 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea is CCCC(C)(CO)NC(=O)NC(CC1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
The InChIKey is CRYYWTPGRZRVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-11-20(2,15-23)22-19(24)21-18(17-7-5-4-6-8-17)14-16-9-12-25-13-10-16/h4-8,16,18,23H,3,9-15H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea has a molecular weight of 348.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea is sourced from PubChem (CID 110028480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).