N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide

C19H29NO2 — CID 4948247

IUPACN-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)13-14-22-18-11-9-16(10-12-18)19(21)20(3)17-7-5-4-6-8-17/h9-12,15,17H,4-8,13-14H2,1-3H3
InChIKeyBCPLXJARDZRLAS-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.52
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide

N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide (PubChem CID 4948247) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
PubChem CID4948247
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)13-14-22-18-11-9-16(10-12-18)19(21)20(3)17-7-5-4-6-8-17/h9-12,15,17H,4-8,13-14H2,1-3H3
InChIKeyBCPLXJARDZRLAS-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4948334
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
CID 119583468
N-cycloheptyl-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51075073
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide (CID 4948247) is N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide?
The InChIKey is BCPLXJARDZRLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)13-14-22-18-11-9-16(10-12-18)19(21)20(3)17-7-5-4-6-8-17/h9-12,15,17H,4-8,13-14H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide?
N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide has a molecular weight of 303.45 g/mol, XLogP of 4.52, 6 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-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4948247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).