4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide

C22H30N2O3 — CID 15136982

IUPAC4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-5-15-26-21-12-8-19(9-13-21)22(25)23-17-18-6-10-20(11-7-18)27-16-14-24(2)3/h6-13H,4-5,14-17H2,1-3H3,(H,23,25)
InChIKeyLTBKRCTZZXUNDA-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.74
Rot. Bonds11

About 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide

4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide (PubChem CID 15136982) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
PubChem CID15136982
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-5-15-26-21-12-8-19(9-13-21)22(25)23-17-18-6-10-20(11-7-18)27-16-14-24(2)3/h6-13H,4-5,14-17H2,1-3H3,(H,23,25)
InChIKeyLTBKRCTZZXUNDA-UHFFFAOYSA-N
XLogP3.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
CID 46415615
N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55857985
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 78901621
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The IUPAC name of 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide (CID 15136982) is 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide is CCCCOc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The InChIKey is LTBKRCTZZXUNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-5-15-26-21-12-8-19(9-13-21)22(25)23-17-18-6-10-20(11-7-18)27-16-14-24(2)3/h6-13H,4-5,14-17H2,1-3H3,(H,23,25).
What are the key properties of 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide has a molecular weight of 370.49 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 15136982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).