N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide

C14H23N3O — CID 66090676

IUPACN-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
SMILESCC(CCN)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-11(7-8-15)10-16-14(18)12-5-4-6-13(9-12)17(2)3/h4-6,9,11H,7-8,10,15H2,1-3H3,(H,16,18)
InChIKeyKAUWKPYBOXWZSH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.47
Rot. Bonds6

About N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide

N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide (PubChem CID 66090676) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
PubChem CID66090676
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
SMILESCC(CCN)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-11(7-8-15)10-16-14(18)12-5-4-6-13(9-12)17(2)3/h4-6,9,11H,7-8,10,15H2,1-3H3,(H,16,18)
InChIKeyKAUWKPYBOXWZSH-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide (CID 66090676) is N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide is CC(CCN)CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide?
The InChIKey is KAUWKPYBOXWZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(7-8-15)10-16-14(18)12-5-4-6-13(9-12)17(2)3/h4-6,9,11H,7-8,10,15H2,1-3H3,(H,16,18).
What are the key properties of N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide?
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide has a molecular weight of 249.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 66090676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).