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

C16H24N2O2 — CID 94081538

IUPAC1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-8-14(10-12)17-16(19)18-15-9-4-3-7-13(15)11-20-2/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3,(H2,17,18,19)/t12-,14-/m1/s1
InChIKeyNLSWIOXDQCCKOO-TZMCWYRMSA-N
MW276.38 g/mol
LogP3.53
Rot. Bonds4

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

1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea (PubChem CID 94081538) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
PubChem CID94081538
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-8-14(10-12)17-16(19)18-15-9-4-3-7-13(15)11-20-2/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3,(H2,17,18,19)/t12-,14-/m1/s1
InChIKeyNLSWIOXDQCCKOO-TZMCWYRMSA-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

2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
CID 47031785
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
CID 47032083
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
CID 47034829
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea
CID 47034831
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea (CID 94081538) is 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea is COCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
The InChIKey is NLSWIOXDQCCKOO-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-5-8-14(10-12)17-16(19)18-15-9-4-3-7-13(15)11-20-2/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3,(H2,17,18,19)/t12-,14-/m1/s1.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-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-[(1R,3R)-3-methylcyclohexyl]urea is sourced from PubChem (CID 94081538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).