N-cyclohexyl-N-methyl-4-pentoxybenzamide

C19H29NO2 — CID 112760417

IUPACN-cyclohexyl-N-methyl-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-3-4-8-15-22-18-13-11-16(12-14-18)19(21)20(2)17-9-6-5-7-10-17/h11-14,17H,3-10,15H2,1-2H3
InChIKeyMEFTVQOYQOHUIZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.66
Rot. Bonds7

About N-cyclohexyl-N-methyl-4-pentoxybenzamide

N-cyclohexyl-N-methyl-4-pentoxybenzamide (PubChem CID 112760417) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-pentoxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-pentoxybenzamide
PubChem CID112760417
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-cyclohexyl-N-methyl-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-3-4-8-15-22-18-13-11-16(12-14-18)19(21)20(2)17-9-6-5-7-10-17/h11-14,17H,3-10,15H2,1-2H3
InChIKeyMEFTVQOYQOHUIZ-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxybenzamide
CID 4934068
3-bromo-N-cyclohexyl-4-hexoxy-N-methylbenzamide
CID 4959507
N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
CID 54821088
N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide
CID 102557641
CID 102302475
CID 102302475
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
4-butoxy-N-cyclobutylbenzamide
CID 71449411

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-pentoxybenzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-pentoxybenzamide (CID 112760417) is N-cyclohexyl-N-methyl-4-pentoxybenzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-pentoxybenzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-pentoxybenzamide?
The InChIKey is MEFTVQOYQOHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-4-8-15-22-18-13-11-16(12-14-18)19(21)20(2)17-9-6-5-7-10-17/h11-14,17H,3-10,15H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-pentoxybenzamide?
N-cyclohexyl-N-methyl-4-pentoxybenzamide has a molecular weight of 303.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-pentoxybenzamide is sourced from PubChem (CID 112760417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).