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

C22H30N2O2 — CID 15136995

IUPAC4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)19-10-8-18(9-11-19)21(25)23-16-17-6-12-20(13-7-17)26-15-14-24(4)5/h6-13H,14-16H2,1-5H3,(H,23,25)
InChIKeyWCUHFRQKOFTPKC-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.85
Rot. Bonds7

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

4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide (PubChem CID 15136995) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
PubChem CID15136995
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)19-10-8-18(9-11-19)21(25)23-16-17-6-12-20(13-7-17)26-15-14-24(4)5/h6-13H,14-16H2,1-5H3,(H,23,25)
InChIKeyWCUHFRQKOFTPKC-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55857985
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide (CID 15136995) is 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide is CN(C)CCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The InChIKey is WCUHFRQKOFTPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(2,3)19-10-8-18(9-11-19)21(25)23-16-17-6-12-20(13-7-17)26-15-14-24(4)5/h6-13H,14-16H2,1-5H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide has a molecular weight of 354.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 15136995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).