1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea

C15H22N2O2 — CID 95634979

IUPAC1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-7-13(9-11)17-15(19)16-10-12-6-2-3-8-14(12)18/h4-5,7,9,12,14,18H,2-3,6,8,10H2,1H3,(H2,16,17,19)/t12-,14+/m0/s1
InChIKeyFBAPGBYBPCMWAT-GXTWGEPZSA-N
MW262.35 g/mol
LogP2.67
Rot. Bonds3

About 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea

1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea (PubChem CID 95634979) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
PubChem CID95634979
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-7-13(9-11)17-15(19)16-10-12-6-2-3-8-14(12)18/h4-5,7,9,12,14,18H,2-3,6,8,10H2,1H3,(H2,16,17,19)/t12-,14+/m0/s1
InChIKeyFBAPGBYBPCMWAT-GXTWGEPZSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 114700125
1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71992244
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-[[(1R,2R)-2-hydroxycyclohexyl]methyl]urea
CID 59198275
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[[(1S,2R)-2-hydroxycyclohexyl]methyl]urea
CID 95635571
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-(3-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 96517982
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea (CID 95634979) is 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea?
The InChIKey is FBAPGBYBPCMWAT-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-7-13(9-11)17-15(19)16-10-12-6-2-3-8-14(12)18/h4-5,7,9,12,14,18H,2-3,6,8,10H2,1H3,(H2,16,17,19)/t12-,14+/m0/s1.
What are the key properties of 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea?
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea has a molecular weight of 262.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 95634979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).