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

C19H22N2O2 — CID 90581348

IUPAC1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(O)CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-6-8-17(9-7-14)21-18(22)20-13-19(23)11-10-15-4-2-3-5-16(15)12-19/h2-9,23H,10-13H2,1H3,(H2,20,21,22)
InChIKeyIMBRRGOLZGEALB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds3

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

1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 90581348) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID90581348
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(O)CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-6-8-17(9-7-14)21-18(22)20-13-19(23)11-10-15-4-2-3-5-16(15)12-19/h2-9,23H,10-13H2,1H3,(H2,20,21,22)
InChIKeyIMBRRGOLZGEALB-UHFFFAOYSA-N
XLogP3.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
CID 90581362
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
CID 97107626
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581292
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]-2,4,6-trimethylbenzamide
CID 90581082
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90581299
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 97042716
2-(ethylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62775085
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042706

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea (CID 90581348) is 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC2(O)CCc3ccccc3C2)cc1.
What is the InChIKey of 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is IMBRRGOLZGEALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-6-8-17(9-7-14)21-18(22)20-13-19(23)11-10-15-4-2-3-5-16(15)12-19/h2-9,23H,10-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea?
1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 90581348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).