2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide

C14H21N3O2 — CID 106274732

IUPAC2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H21N3O2/c1-9-5-6-11(15)10(7-9)12(18)17-8-14(2,3)13(19)16-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHMFRICUBCRKPHP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.08
Rot. Bonds4

About 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide

2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide (PubChem CID 106274732) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
PubChem CID106274732
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H21N3O2/c1-9-5-6-11(15)10(7-9)12(18)17-8-14(2,3)13(19)16-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHMFRICUBCRKPHP-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.08
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

2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106278672
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydrazinyl-2-methylbenzamide
CID 106280283
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696
2-amino-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 62073465
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 65036645
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]benzoic acid
CID 106275615
2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62509238
2-amino-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332725
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide (CID 106274732) is 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide is CNC(=O)C(C)(C)CNC(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide?
The InChIKey is HMFRICUBCRKPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-5-6-11(15)10(7-9)12(18)17-8-14(2,3)13(19)16-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide?
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide is sourced from PubChem (CID 106274732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).