5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

C15H23N3O2 — CID 102705881

IUPAC5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)NCC(C)C)cc1N
InChIInChI=1S/C15H23N3O2/c1-9(2)7-17-14(19)8-18-15(20)12-6-13(16)11(4)5-10(12)3/h5-6,9H,7-8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyQVFIVESMAGLKEB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds5

About 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 102705881) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID102705881
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)NCC(C)C)cc1N
InChIInChI=1S/C15H23N3O2/c1-9(2)7-17-14(19)8-18-15(20)12-6-13(16)11(4)5-10(12)3/h5-6,9H,7-8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyQVFIVESMAGLKEB-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 102705609
2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112704947
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
CID 102705072
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112687782
4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 113404969
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 102705881) is 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is Cc1cc(C)c(C(=O)NCC(=O)NCC(C)C)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is QVFIVESMAGLKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)7-17-14(19)8-18-15(20)12-6-13(16)11(4)5-10(12)3/h5-6,9H,7-8,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 102705881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).