3-amino-4-[butyl(methyl)amino]-N-methylbenzamide

C13H21N3O — CID 82989106

IUPAC3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
SMILESCCCCN(C)c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C13H21N3O/c1-4-5-8-16(3)12-7-6-10(9-11(12)14)13(17)15-2/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,17)
InChIKeyOTPOWTZJMNZZOM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds5

About 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide

3-amino-4-[butyl(methyl)amino]-N-methylbenzamide (PubChem CID 82989106) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
PubChem CID82989106
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
SMILESCCCCN(C)c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C13H21N3O/c1-4-5-8-16(3)12-7-6-10(9-11(12)14)13(17)15-2/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,17)
InChIKeyOTPOWTZJMNZZOM-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
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

3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
3-amino-4-[heptyl(methyl)amino]benzoic acid
CID 63117413
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
3-amino-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-N-methylbenzamide
CID 82999655
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
CID 105414144
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-amino-4-[(4-bromothiophen-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82988917
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide (CID 82989106) is 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide is CCCCN(C)c1ccc(C(=O)NC)cc1N.
What is the InChIKey of 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide?
The InChIKey is OTPOWTZJMNZZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-8-16(3)12-7-6-10(9-11(12)14)13(17)15-2/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide?
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[butyl(methyl)amino]-N-methylbenzamide is sourced from PubChem (CID 82989106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).