1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea

C20H28N2O2 — CID 111505667

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
SMILESCC(Cc1ccc2ccccc2c1)NC(=O)NCC(C)(C)CCO
InChIInChI=1S/C20H28N2O2/c1-15(22-19(24)21-14-20(2,3)10-11-23)12-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,15,23H,10-12,14H2,1-3H3,(H2,21,22,24)
InChIKeyPTCQDRWJTOUXKL-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea (PubChem CID 111505667) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
PubChem CID111505667
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
SMILESCC(Cc1ccc2ccccc2c1)NC(=O)NCC(C)(C)CCO
InChIInChI=1S/C20H28N2O2/c1-15(22-19(24)21-14-20(2,3)10-11-23)12-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,15,23H,10-12,14H2,1-3H3,(H2,21,22,24)
InChIKeyPTCQDRWJTOUXKL-UHFFFAOYSA-N
XLogP3.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-methyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]propanamide
CID 97318164
(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 95382799
1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 110922200
N-(4-amino-2,2-dimethylbutyl)-2-naphthalen-2-ylacetamide
CID 106139776
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
CID 97227616
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657
1-[1-(2,3-dimethylphenyl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506389
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea
CID 95774040
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
CID 111469119
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111504246
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea (CID 111505667) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea is CC(Cc1ccc2ccccc2c1)NC(=O)NCC(C)(C)CCO.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
The InChIKey is PTCQDRWJTOUXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(22-19(24)21-14-20(2,3)10-11-23)12-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,15,23H,10-12,14H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea has a molecular weight of 328.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 111505667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).