N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide

C17H26N2O2 — CID 110279269

IUPACN-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCCC2CN(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-19(2)12-14-7-4-5-10-16(14)18-17(20)13-8-6-9-15(11-13)21-3/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3,(H,18,20)
InChIKeyPITXAORDLJBDDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide

N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide (PubChem CID 110279269) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
PubChem CID110279269
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCCC2CN(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-19(2)12-14-7-4-5-10-16(14)18-17(20)13-8-6-9-15(11-13)21-3/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3,(H,18,20)
InChIKeyPITXAORDLJBDDD-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]-4-methoxybenzamide
CID 110279273
N-[2-[(dimethylamino)methyl]cyclohexyl]naphthalene-2-carboxamide
CID 110279247
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide (CID 110279269) is N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCCCC2CN(C)C)c1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide?
The InChIKey is PITXAORDLJBDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(2)12-14-7-4-5-10-16(14)18-17(20)13-8-6-9-15(11-13)21-3/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide?
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 110279269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).