N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide

C16H24N2O2 — CID 102638874

IUPACN-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CCCCC2N)ccc1C
InChIInChI=1S/C16H24N2O2/c1-11-8-9-12(10-15(11)20-3)16(19)18(2)14-7-5-4-6-13(14)17/h8-10,13-14H,4-7,17H2,1-3H3
InChIKeyNZHVOEMZRAIUHE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds3

About N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide

N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide (PubChem CID 102638874) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
PubChem CID102638874
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CCCCC2N)ccc1C
InChIInChI=1S/C16H24N2O2/c1-11-8-9-12(10-15(11)20-3)16(19)18(2)14-7-5-4-6-13(14)17/h8-10,13-14H,4-7,17H2,1-3H3
InChIKeyNZHVOEMZRAIUHE-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638864
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-(2-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885408
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
3-methoxy-N,4-dimethyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187175
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide (CID 102638874) is N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide is COc1cc(C(=O)N(C)C2CCCCC2N)ccc1C.
What is the InChIKey of N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide?
The InChIKey is NZHVOEMZRAIUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-8-9-12(10-15(11)20-3)16(19)18(2)14-7-5-4-6-13(14)17/h8-10,13-14H,4-7,17H2,1-3H3.
What are the key properties of N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide?
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 102638874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).