N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide

C15H24N2O — CID 115271137

IUPACN-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)(C)CNC)cc1
InChIInChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)14(18)17-11-15(2,3)10-16-4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyAXBAEOLGCZLJII-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds6

About N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide

N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide (PubChem CID 115271137) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
PubChem CID115271137
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)(C)CNC)cc1
InChIInChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)14(18)17-11-15(2,3)10-16-4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyAXBAEOLGCZLJII-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-(2,2-dimethylpentyl)-4-(methylamino)benzamide
CID 115161129
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide
CID 20734030
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide (CID 115271137) is N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCC(C)(C)CNC)cc1.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide?
The InChIKey is AXBAEOLGCZLJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)14(18)17-11-15(2,3)10-16-4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide?
N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide is sourced from PubChem (CID 115271137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).