4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide

C24H32N2O4 — CID 56512309

IUPAC4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C24H32N2O4/c1-6-8-15-30-21-14-13-20(16-22(21)29-5)24(28)26(7-2)17-18-9-11-19(12-10-18)23(27)25(3)4/h9-14,16H,6-8,15,17H2,1-5H3
InChIKeyULKAXZHYGVSOPG-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.24
Rot. Bonds10

About 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide

4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide (PubChem CID 56512309) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
PubChem CID56512309
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C24H32N2O4/c1-6-8-15-30-21-14-13-20(16-22(21)29-5)24(28)26(7-2)17-18-9-11-19(12-10-18)23(27)25(3)4/h9-14,16H,6-8,15,17H2,1-5H3
InChIKeyULKAXZHYGVSOPG-UHFFFAOYSA-N
XLogP4.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide
CID 142639008
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
CID 134028659
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
4-butoxy-3-methoxybenzamide
CID 47102628
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide (CID 56512309) is 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide is CCCCOc1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)cc1OC.
What is the InChIKey of 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide?
The InChIKey is ULKAXZHYGVSOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-8-15-30-21-14-13-20(16-22(21)29-5)24(28)26(7-2)17-18-9-11-19(12-10-18)23(27)25(3)4/h9-14,16H,6-8,15,17H2,1-5H3.
What are the key properties of 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide?
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide has a molecular weight of 412.53 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 56512309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).