1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea

C16H24N2O2 — CID 94081568

IUPAC1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C16H24N2O2/c1-12-7-3-5-9-14(12)17-16(19)18-15-10-6-4-8-13(15)11-20-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H2,17,18,19)/t12-,14+/m1/s1
InChIKeyYKSGVQNFCPBWIP-OCCSQVGLSA-N
MW276.38 g/mol
LogP3.53
Rot. Bonds4

About 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea

1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea (PubChem CID 94081568) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
PubChem CID94081568
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C16H24N2O2/c1-12-7-3-5-9-14(12)17-16(19)18-15-10-6-4-8-13(15)11-20-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H2,17,18,19)/t12-,14+/m1/s1
InChIKeyYKSGVQNFCPBWIP-OCCSQVGLSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid
CID 107274081
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
CID 47034829
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
trans-methyl (1S,2S)-2-[[2-(ethoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylate
CID 96536767
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea (CID 94081568) is 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea is COCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
The InChIKey is YKSGVQNFCPBWIP-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-7-3-5-9-14(12)17-16(19)18-15-10-6-4-8-13(15)11-20-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H2,17,18,19)/t12-,14+/m1/s1.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea is sourced from PubChem (CID 94081568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).