4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide

C23H32N2O4 — CID 11058466

IUPAC4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC(c2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C23H32N2O4/c1-6-7-13-29-22-20(27-4)14-18(15-21(22)28-5)23(26)24-16-19(25(2)3)17-11-9-8-10-12-17/h8-12,14-15,19H,6-7,13,16H2,1-5H3,(H,24,26)
InChIKeyKSXSISUEFGBJAG-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.92
Rot. Bonds11

About 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide

4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide (PubChem CID 11058466) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide
PubChem CID11058466
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC(c2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C23H32N2O4/c1-6-7-13-29-22-20(27-4)14-18(15-21(22)28-5)23(26)24-16-19(25(2)3)17-11-9-8-10-12-17/h8-12,14-15,19H,6-7,13,16H2,1-5H3,(H,24,26)
InChIKeyKSXSISUEFGBJAG-UHFFFAOYSA-N
XLogP3.92
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.92
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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Related Compounds

Trimethobenzamide
CID 5577
Troxipide
CID 5597
Itopride
CID 3792
Trimetozine
CID 12478
Trimethobenzamide Hydrochloride
CID 68385
Itopride Hydrochloride
CID 129791
Opiranserin
CID 71566778
Trocimine
CID 26650
Capobenic Acid
CID 30627
Moxilubant
CID 9955657
Benzamide, N-furfuryl-3,4,5-trimethoxy-
CID 43247
4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide
CID 5311287

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide (CID 11058466) is 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide is CCCCOc1c(OC)cc(C(=O)NCC(c2ccccc2)N(C)C)cc1OC.
What is the InChIKey of 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide?
The InChIKey is KSXSISUEFGBJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-6-7-13-29-22-20(27-4)14-18(15-21(22)28-5)23(26)24-16-19(25(2)3)17-11-9-8-10-12-17/h8-12,14-15,19H,6-7,13,16H2,1-5H3,(H,24,26).
What are the key properties of 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide?
4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide has a molecular weight of 400.52 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 11058466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).