N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide

C21H29N3O — CID 24550915

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H29N3O/c1-5-24(6-2)16-18-9-7-17(8-10-18)15-22-21(25)19-11-13-20(14-12-19)23(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,22,25)
InChIKeyIUCVFMSNVURTKB-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.52
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide (PubChem CID 24550915) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
PubChem CID24550915
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H29N3O/c1-5-24(6-2)16-18-9-7-17(8-10-18)15-22-21(25)19-11-13-20(14-12-19)23(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,22,25)
InChIKeyIUCVFMSNVURTKB-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide (CID 24550915) is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
The InChIKey is IUCVFMSNVURTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-24(6-2)16-18-9-7-17(8-10-18)15-22-21(25)19-11-13-20(14-12-19)23(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,22,25).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide has a molecular weight of 339.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 24550915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).