4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide

C15H22N4O2 — CID 102888377

IUPAC4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(N2CCCN(C)C(=O)C2)c1
InChIInChI=1S/C15H22N4O2/c1-17(2)15(21)11-5-6-12(16)13(9-11)19-8-4-7-18(3)14(20)10-19/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyXNYQZWYLPRWAEA-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.64
Rot. Bonds2

About 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide

4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide (PubChem CID 102888377) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
PubChem CID102888377
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(N2CCCN(C)C(=O)C2)c1
InChIInChI=1S/C15H22N4O2/c1-17(2)15(21)11-5-6-12(16)13(9-11)19-8-4-7-18(3)14(20)10-19/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyXNYQZWYLPRWAEA-UHFFFAOYSA-N
XLogP0.64
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzoate
CID 102891843
4-amino-3-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 82795949
methyl 3-amino-4-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzoate
CID 102891853
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
methyl 2-amino-5-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzoate
CID 102891856
4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
CID 115469047
3-amino-N,N-dimethyl-4-(1,4-thiazepan-4-yl)benzamide
CID 82993380
4-(2-amino-4-methylsulfonylphenyl)-1-methyl-1,4-diazepan-2-one
CID 102888267
4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
CID 63360632

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide (CID 102888377) is 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide is CN(C)C(=O)c1ccc(N)c(N2CCCN(C)C(=O)C2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide?
The InChIKey is XNYQZWYLPRWAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17(2)15(21)11-5-6-12(16)13(9-11)19-8-4-7-18(3)14(20)10-19/h5-6,9H,4,7-8,10,16H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide?
4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide has a molecular weight of 290.37 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide is sourced from PubChem (CID 102888377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).