4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide

C22H36N2O4 — CID 5311286

IUPAC4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCCC2)cc1OC
InChIInChI=1S/C22H36N2O4/c1-6-7-13-28-20-18(26-4)14-17(15-19(20)27-5)21(25)23-16-22(24(2)3)11-9-8-10-12-22/h14-15H,6-13,16H2,1-5H3,(H,23,25)
InChIKeyXDBADXXFMKALJL-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.88
Rot. Bonds10

About 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide

4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide (PubChem CID 5311286) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide
PubChem CID5311286
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCCC2)cc1OC
InChIInChI=1S/C22H36N2O4/c1-6-7-13-28-20-18(26-4)14-17(15-19(20)27-5)21(25)23-16-22(24(2)3)11-9-8-10-12-22/h14-15H,6-13,16H2,1-5H3,(H,23,25)
InChIKeyXDBADXXFMKALJL-UHFFFAOYSA-N
XLogP3.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide (CID 5311286) is 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide is CCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCCC2)cc1OC.
What is the InChIKey of 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is XDBADXXFMKALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-6-7-13-28-20-18(26-4)14-17(15-19(20)27-5)21(25)23-16-22(24(2)3)11-9-8-10-12-22/h14-15H,6-13,16H2,1-5H3,(H,23,25).
What are the key properties of 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide?
4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 392.54 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 5311286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).