N-butyl-4-(diethylamino)-N-methylbenzamide

C16H26N2O — CID 78796145

IUPACN-butyl-4-(diethylamino)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H26N2O/c1-5-8-13-17(4)16(19)14-9-11-15(12-10-14)18(6-2)7-3/h9-12H,5-8,13H2,1-4H3
InChIKeyQJIQFDPCDDBOKV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.40
Rot. Bonds7

About N-butyl-4-(diethylamino)-N-methylbenzamide

N-butyl-4-(diethylamino)-N-methylbenzamide (PubChem CID 78796145) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butyl-4-(diethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-(diethylamino)-N-methylbenzamide
PubChem CID78796145
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-butyl-4-(diethylamino)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H26N2O/c1-5-8-13-17(4)16(19)14-9-11-15(12-10-14)18(6-2)7-3/h9-12H,5-8,13H2,1-4H3
InChIKeyQJIQFDPCDDBOKV-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-4-(diethylamino)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
1-N,4-N-bis[2-[ethyl(nonyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139952652
1-N,4-N-bis[2-[ethyl(heptyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139953556
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(diethylamino)-N-methylbenzamide?
The IUPAC name of N-butyl-4-(diethylamino)-N-methylbenzamide (CID 78796145) is N-butyl-4-(diethylamino)-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-(diethylamino)-N-methylbenzamide?
The canonical SMILES for N-butyl-4-(diethylamino)-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of N-butyl-4-(diethylamino)-N-methylbenzamide?
The InChIKey is QJIQFDPCDDBOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-8-13-17(4)16(19)14-9-11-15(12-10-14)18(6-2)7-3/h9-12H,5-8,13H2,1-4H3.
What are the key properties of N-butyl-4-(diethylamino)-N-methylbenzamide?
N-butyl-4-(diethylamino)-N-methylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(diethylamino)-N-methylbenzamide is sourced from PubChem (CID 78796145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).