3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide

C14H20N4O2 — CID 82992471

IUPAC3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(N2CCNC(=O)CC2)c(N)c1
InChIInChI=1S/C14H20N4O2/c1-17(2)14(20)10-3-4-12(11(15)9-10)18-7-5-13(19)16-6-8-18/h3-4,9H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyFIRLINYGHFWHTN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.30
Rot. Bonds2

About 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide

3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide (PubChem CID 82992471) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide
PubChem CID82992471
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(N2CCNC(=O)CC2)c(N)c1
InChIInChI=1S/C14H20N4O2/c1-17(2)14(20)10-3-4-12(11(15)9-10)18-7-5-13(19)16-6-8-18/h3-4,9H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyFIRLINYGHFWHTN-UHFFFAOYSA-N
XLogP0.30
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide
CID 82993406
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
3-amino-N,N-dimethyl-4-(1,4-thiazepan-4-yl)benzamide
CID 82993380
3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
CID 82990194
methyl 5-amino-2-(5-oxo-1,4-diazepan-1-yl)benzoate
CID 63000471
1-(8-amino-3-methylisoquinolin-5-yl)-1,4-diazepan-5-one
CID 102713358
1-(2-amino-5-fluorophenyl)-1,4-diazepan-5-one
CID 63003752
1-(3-amino-4-methylbenzoyl)-1,4-diazepan-5-one
CID 63003194
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
1-(2-acetyl-4-nitrophenyl)-1,4-diazepan-5-one
CID 63002704
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide (CID 82992471) is 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide is CN(C)C(=O)c1ccc(N2CCNC(=O)CC2)c(N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide?
The InChIKey is FIRLINYGHFWHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(2)14(20)10-3-4-12(11(15)9-10)18-7-5-13(19)16-6-8-18/h3-4,9H,5-8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide?
3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide is sourced from PubChem (CID 82992471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).