1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea

C19H30N2O3 — CID 46887832

IUPAC1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
SMILESCOc1cc(CNC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O
InChIInChI=1S/C19H30N2O3/c1-12(2)15-7-5-13(3)9-16(15)21-19(23)20-11-14-6-8-17(22)18(10-14)24-4/h6,8,10,12-13,15-16,22H,5,7,9,11H2,1-4H3,(H2,20,21,23)/t13-,15+,16-/m1/s1
InChIKeyCJWPIYNBDPZTMW-VNQPRFMTSA-N
MW334.46 g/mol
LogP3.66
Rot. Bonds5

About 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea

1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea (PubChem CID 46887832) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
PubChem CID46887832
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
SMILESCOc1cc(CNC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O
InChIInChI=1S/C19H30N2O3/c1-12(2)15-7-5-13(3)9-16(15)21-19(23)20-11-14-6-8-17(22)18(10-14)24-4/h6,8,10,12-13,15-16,22H,5,7,9,11H2,1-4H3,(H2,20,21,23)/t13-,15+,16-/m1/s1
InChIKeyCJWPIYNBDPZTMW-VNQPRFMTSA-N
XLogP3.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea with MolForge

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Related Compounds

(1R,2S,5R)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992202
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 10086865
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
CID 91447915
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea
CID 47048314
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983969
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
[(1R,3R)-3-methylcyclohexyl] 3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]azetidine-1-carboxylate
CID 70951838
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124735238
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
The IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea (CID 46887832) is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea.
What is the SMILES notation for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
The canonical SMILES for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea is COc1cc(CNC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
The InChIKey is CJWPIYNBDPZTMW-VNQPRFMTSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-12(2)15-7-5-13(3)9-16(15)21-19(23)20-11-14-6-8-17(22)18(10-14)24-4/h6,8,10,12-13,15-16,22H,5,7,9,11H2,1-4H3,(H2,20,21,23)/t13-,15+,16-/m1/s1.
What are the key properties of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea is sourced from PubChem (CID 46887832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).