N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide

C15H21NO2 — CID 154088219

IUPACN-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide
SMILESCOc1cccc(C2(C)CCCCC2NC=O)c1
InChIInChI=1S/C15H21NO2/c1-15(9-4-3-8-14(15)16-11-17)12-6-5-7-13(10-12)18-2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyDRFJPCUHXGYHBT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide

N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide (PubChem CID 154088219) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide
PubChem CID154088219
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide
SMILESCOc1cccc(C2(C)CCCCC2NC=O)c1
InChIInChI=1S/C15H21NO2/c1-15(9-4-3-8-14(15)16-11-17)12-6-5-7-13(10-12)18-2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyDRFJPCUHXGYHBT-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine
CID 121227280
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
CID 57265905
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
[2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexyl] formate
CID 3056585
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
(3R)-3-(3-methoxyphenyl)-1,3-dimethylazepan-2-one
CID 11831761
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide (CID 154088219) is N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide is COc1cccc(C2(C)CCCCC2NC=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide?
The InChIKey is DRFJPCUHXGYHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(9-4-3-8-14(15)16-11-17)12-6-5-7-13(10-12)18-2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide?
N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide has a molecular weight of 247.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide is sourced from PubChem (CID 154088219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).