4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide

C14H23N3O — CID 165405062

IUPAC4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(CC(CN)N(C)C)c(C)c1
InChIInChI=1S/C14H23N3O/c1-10-7-12(14(18)16-2)6-5-11(10)8-13(9-15)17(3)4/h5-7,13H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyOBMXLLYKUZUXAJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.79
Rot. Bonds5

About 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide

4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide (PubChem CID 165405062) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide
PubChem CID165405062
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(CC(CN)N(C)C)c(C)c1
InChIInChI=1S/C14H23N3O/c1-10-7-12(14(18)16-2)6-5-11(10)8-13(9-15)17(3)4/h5-7,13H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyOBMXLLYKUZUXAJ-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluoro-N-methylbenzamide
CID 165405080
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide
CID 166025377
N,3-dimethyl-4-(3-methylpentyl)benzamide
CID 165142506
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-N,3-dimethylbenzamide
CID 166025583
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2,3-difluorobenzamide
CID 165405448
4-[(2S)-3-[(3-chloro-4-fluorobenzoyl)amino]-2-(dimethylamino)propyl]-N,3,5-trimethylbenzamide
CID 139569041
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-N,3-dimethylbenzamide;molecular hydrogen
CID 165405593
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
4-[(2S)-3-[(3-chlorobenzoyl)amino]-2-(dimethylamino)propyl]-N,3,5-trimethylbenzamide
CID 139568835
1-[4-[(2S)-3-amino-2-(dimethylamino)propyl]-3-methylphenyl]propan-1-one;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3R)-5-methyl-3-pyridin-3-ylhexanoic acid
CID 167610227
4-(aminomethyl)-3-methylbenzenecarbothioic S-acid
CID 86120891
4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
CID 91048329

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide?
The IUPAC name of 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide (CID 165405062) is 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide is CNC(=O)c1ccc(CC(CN)N(C)C)c(C)c1.
What is the InChIKey of 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide?
The InChIKey is OBMXLLYKUZUXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-12(14(18)16-2)6-5-11(10)8-13(9-15)17(3)4/h5-7,13H,8-9,15H2,1-4H3,(H,16,18).
What are the key properties of 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide?
4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 165405062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).