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

C14H23N3O — CID 82989107

IUPAC3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
SMILESCCCCN(CC)c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C14H23N3O/c1-4-6-9-17(5-2)13-8-7-11(10-12(13)15)14(18)16-3/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18)
InChIKeyADDTXDVMWPVTON-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds6

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

3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide (PubChem CID 82989107) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
PubChem CID82989107
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
SMILESCCCCN(CC)c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C14H23N3O/c1-4-6-9-17(5-2)13-8-7-11(10-12(13)15)14(18)16-3/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18)
InChIKeyADDTXDVMWPVTON-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-4-(dibutylamino)benzoic acid
CID 22096622
3-amino-4-(dibutylamino)benzamide
CID 43448369
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
3-amino-4-[ethyl(3-fluoropropyl)amino]benzoic acid
CID 81105948
ethyl 3-amino-4-[ethyl(3-hydroxypropyl)amino]benzoate
CID 113468914
3-amino-4-[[2-(butylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 63119071
3-amino-4-[ethyl(2-ethylsulfonylethyl)amino]benzoic acid
CID 63119018
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide (CID 82989107) is 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide is CCCCN(CC)c1ccc(C(=O)NC)cc1N.
What is the InChIKey of 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide?
The InChIKey is ADDTXDVMWPVTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-9-17(5-2)13-8-7-11(10-12(13)15)14(18)16-3/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide?
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide is sourced from PubChem (CID 82989107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).