2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide

C13H19N3O2 — CID 61102735

IUPAC2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-10(14)12(9)13(18)15-8-7-11(17)16(2)3/h4-6H,7-8,14H2,1-3H3,(H,15,18)
InChIKeyCDJJSMIOZOAIKL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds4

About 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide

2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide (PubChem CID 61102735) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
PubChem CID61102735
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-10(14)12(9)13(18)15-8-7-11(17)16(2)3/h4-6H,7-8,14H2,1-3H3,(H,15,18)
InChIKeyCDJJSMIOZOAIKL-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
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

2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide
CID 114264552
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
2-amino-6-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425056
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide (CID 61102735) is 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)NCCC(=O)N(C)C.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide?
The InChIKey is CDJJSMIOZOAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-4-6-10(14)12(9)13(18)15-8-7-11(17)16(2)3/h4-6H,7-8,14H2,1-3H3,(H,15,18).
What are the key properties of 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide?
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide is sourced from PubChem (CID 61102735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).