3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide

C12H17N3O2 — CID 119584009

IUPAC3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCC(CN)N(C)C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8(7-13)15(2)12(17)10-5-3-4-9(6-10)11(14)16/h3-6,8H,7,13H2,1-2H3,(H2,14,16)
InChIKeyYEJYKCJSXQKKPN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.20
Rot. Bonds4

About 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 119584009) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID119584009
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCC(CN)N(C)C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8(7-13)15(2)12(17)10-5-3-4-9(6-10)11(14)16/h3-6,8H,7,13H2,1-2H3,(H2,14,16)
InChIKeyYEJYKCJSXQKKPN-UHFFFAOYSA-N
XLogP0.20
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119584808
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide (CID 119584009) is 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide is CC(CN)N(C)C(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is YEJYKCJSXQKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(7-13)15(2)12(17)10-5-3-4-9(6-10)11(14)16/h3-6,8H,7,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119584009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).