3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide

C23H31N3O2 — CID 55645545

IUPAC3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-25(6-2)17-18-12-14-19(15-13-18)22(27)24-21-11-9-10-20(16-21)23(28)26(7-3)8-4/h9-16H,5-8,17H2,1-4H3,(H,24,27)
InChIKeyLHCWBZHKSVHBJZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.26
Rot. Bonds9

About 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide

3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide (PubChem CID 55645545) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
PubChem CID55645545
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-25(6-2)17-18-12-14-19(15-13-18)22(27)24-21-11-9-10-20(16-21)23(28)26(7-3)8-4/h9-16H,5-8,17H2,1-4H3,(H,24,27)
InChIKeyLHCWBZHKSVHBJZ-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
4-(diethylaminomethyl)-N-(3-ethynylphenyl)benzamide
CID 46426668
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070782
N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17194593
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide (CID 55645545) is 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide is CCN(CC)Cc1ccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide?
The InChIKey is LHCWBZHKSVHBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-25(6-2)17-18-12-14-19(15-13-18)22(27)24-21-11-9-10-20(16-21)23(28)26(7-3)8-4/h9-16H,5-8,17H2,1-4H3,(H,24,27).
What are the key properties of 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide?
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 55645545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).