3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide

C23H32N2O2 — CID 19578403

IUPAC3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H32N2O2/c1-23(2,3)20-10-12-21(13-11-20)27-17-18-8-6-9-19(16-18)22(26)24-14-7-15-25(4)5/h6,8-13,16H,7,14-15,17H2,1-5H3,(H,24,26)
InChIKeyOELUALJUDQVXGD-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.24
Rot. Bonds8

About 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide

3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 19578403) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
PubChem CID19578403
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H32N2O2/c1-23(2,3)20-10-12-21(13-11-20)27-17-18-8-6-9-19(16-18)22(26)24-14-7-15-25(4)5/h6,8-13,16H,7,14-15,17H2,1-5H3,(H,24,26)
InChIKeyOELUALJUDQVXGD-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19282948
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19323155
1-[3-(diethylamino)propyl]-3-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]thiourea
CID 4865284
1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053461
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 27861724
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408634
1-N-[3-(dimethylamino)propyl]-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053455

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide (CID 19578403) is 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is OELUALJUDQVXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-23(2,3)20-10-12-21(13-11-20)27-17-18-8-6-9-19(16-18)22(26)24-14-7-15-25(4)5/h6,8-13,16H,7,14-15,17H2,1-5H3,(H,24,26).
What are the key properties of 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide?
3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 368.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 19578403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).