4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119740075

IUPAC4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(2)15-13(18)10-4-6-11(7-5-10)16-12(17)8-14-3;/h4-7,9,14H,8H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyUYQHMFZBBCYOLA-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.40
Rot. Bonds5

About 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride

4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119740075) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119740075
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(2)15-13(18)10-4-6-11(7-5-10)16-12(17)8-14-3;/h4-7,9,14H,8H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyUYQHMFZBBCYOLA-UHFFFAOYSA-N
XLogP1.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119704527
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride (CID 119740075) is 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride is CNCC(=O)Nc1ccc(C(=O)NC(C)C)cc1.Cl.
What is the InChIKey of 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is UYQHMFZBBCYOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-9(2)15-13(18)10-4-6-11(7-5-10)16-12(17)8-14-3;/h4-7,9,14H,8H2,1-3H3,(H,15,18)(H,16,17);1H.
What are the key properties of 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119740075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).