1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea

C16H24N2O2 — CID 47172067

IUPAC1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
SMILESCOc1ccc(CNC(=O)NC2CCCC(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)18-16(19)17-11-13-6-8-15(20-2)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyNDIDZASLOMNCPR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea

1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea (PubChem CID 47172067) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
PubChem CID47172067
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
SMILESCOc1ccc(CNC(=O)NC2CCCC(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)18-16(19)17-11-13-6-8-15(20-2)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyNDIDZASLOMNCPR-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
N,N-dimethyl-2-[3-[[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
CID 94805828
N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
CID 94805831
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983969
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea (CID 47172067) is 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea is COc1ccc(CNC(=O)NC2CCCC(C)C2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea?
The InChIKey is NDIDZASLOMNCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)18-16(19)17-11-13-6-8-15(20-2)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea?
1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea is sourced from PubChem (CID 47172067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).