N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide

C17H26N2O2 — CID 2559757

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(2)17(11-5-4-6-12-17)13-18-16(20)14-7-9-15(21-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyJMTHOIGGAHWQJU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide (PubChem CID 2559757) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide
PubChem CID2559757
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(2)17(11-5-4-6-12-17)13-18-16(20)14-7-9-15(21-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyJMTHOIGGAHWQJU-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide (CID 2559757) is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide?
The InChIKey is JMTHOIGGAHWQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(2)17(11-5-4-6-12-17)13-18-16(20)14-7-9-15(21-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H,18,20).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 2559757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).