1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea

C22H28N2O2 — CID 90581362

IUPAC1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCC2(O)CCc3ccccc3C2)cc1
InChIInChI=1S/C22H28N2O2/c1-21(2,3)18-8-10-19(11-9-18)24-20(25)23-15-22(26)13-12-16-6-4-5-7-17(16)14-22/h4-11,26H,12-15H2,1-3H3,(H2,23,24,25)
InChIKeyADIIDFAECQBQKN-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.03
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea

1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea (PubChem CID 90581362) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
PubChem CID90581362
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCC2(O)CCc3ccccc3C2)cc1
InChIInChI=1S/C22H28N2O2/c1-21(2,3)18-8-10-19(11-9-18)24-20(25)23-15-22(26)13-12-16-6-4-5-7-17(16)14-22/h4-11,26H,12-15H2,1-3H3,(H2,23,24,25)
InChIKeyADIIDFAECQBQKN-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
CID 90581348
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
CID 97107626
N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581292
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042707
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042706
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,4,6-trimethylbenzamide
CID 90581082
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 97042716
3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide
CID 90581058
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90581299

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea (CID 90581362) is 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea is CC(C)(C)c1ccc(NC(=O)NCC2(O)CCc3ccccc3C2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea?
The InChIKey is ADIIDFAECQBQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-21(2,3)18-8-10-19(11-9-18)24-20(25)23-15-22(26)13-12-16-6-4-5-7-17(16)14-22/h4-11,26H,12-15H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea?
1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea has a molecular weight of 352.48 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea is sourced from PubChem (CID 90581362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).