4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide

C14H21N3O — CID 113485307

IUPAC4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NC2(C)CCC2)c1
InChIInChI=1S/C14H21N3O/c1-14(7-4-8-14)16-12-9-10(5-6-11(12)15)13(18)17(2)3/h5-6,9,16H,4,7-8,15H2,1-3H3
InChIKeyYOTSUAPMWOQJOL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds3

About 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide

4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide (PubChem CID 113485307) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
PubChem CID113485307
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NC2(C)CCC2)c1
InChIInChI=1S/C14H21N3O/c1-14(7-4-8-14)16-12-9-10(5-6-11(12)15)13(18)17(2)3/h5-6,9,16H,4,7-8,15H2,1-3H3
InChIKeyYOTSUAPMWOQJOL-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
CID 81133978
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
CID 63361174
4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
CID 63360647
3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 82992962
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64740893
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
methyl 2-[2-amino-5-(dimethylcarbamoyl)anilino]-3-methylbutanoate
CID 63358400

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide (CID 113485307) is 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide is CN(C)C(=O)c1ccc(N)c(NC2(C)CCC2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide?
The InChIKey is YOTSUAPMWOQJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(7-4-8-14)16-12-9-10(5-6-11(12)15)13(18)17(2)3/h5-6,9,16H,4,7-8,15H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide?
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide is sourced from PubChem (CID 113485307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).