3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide

C14H21N3O — CID 106179724

IUPAC3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C14H21N3O/c1-10(2)7-8-16-14(18)11-5-6-13(17(3)4)12(15)9-11/h5-7,9H,8,15H2,1-4H3,(H,16,18)
InChIKeyCFGOAFOJJXHDIR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide

3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide (PubChem CID 106179724) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
PubChem CID106179724
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C14H21N3O/c1-10(2)7-8-16-14(18)11-5-6-13(17(3)4)12(15)9-11/h5-7,9H,8,15H2,1-4H3,(H,16,18)
InChIKeyCFGOAFOJJXHDIR-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
3-amino-4-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179688
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 61091598
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 61090939
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332615

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide (CID 106179724) is 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide is CC(C)=CCNC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide?
The InChIKey is CFGOAFOJJXHDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)7-8-16-14(18)11-5-6-13(17(3)4)12(15)9-11/h5-7,9H,8,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide?
3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide is sourced from PubChem (CID 106179724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).