N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide

C17H26N2O2 — CID 110279273

IUPACN-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CN(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-19(2)12-14-6-4-5-7-16(14)18-17(20)13-8-10-15(21-3)11-9-13/h8-11,14,16H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyAHJSWYSCBSCESA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide

N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide (PubChem CID 110279273) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
PubChem CID110279273
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CN(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-19(2)12-14-6-4-5-7-16(14)18-17(20)13-8-10-15(21-3)11-9-13/h8-11,14,16H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyAHJSWYSCBSCESA-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-[2-[(dimethylamino)methyl]cyclohexyl]naphthalene-2-carboxamide
CID 110279247
4-methoxy-N-[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide
CID 74340324
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
CID 110279154
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252
N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide
CID 24872684
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide
CID 146504792
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
4-(2-ethoxyethoxy)-N-[2-[[ethyl(propyl)amino]methyl]cyclohexyl]benzamide
CID 143571154

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide (CID 110279273) is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCC2CN(C)C)cc1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide?
The InChIKey is AHJSWYSCBSCESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(2)12-14-6-4-5-7-16(14)18-17(20)13-8-10-15(21-3)11-9-13/h8-11,14,16H,4-7,12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide?
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 110279273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).