4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide

C19H27N3O5 — CID 32511449

IUPAC4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
SMILESCOc1cc(NC(=O)CN2CCCCCC2=O)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C19H27N3O5/c1-21(2)19(25)13-10-15(26-3)16(27-4)11-14(13)20-17(23)12-22-9-7-5-6-8-18(22)24/h10-11H,5-9,12H2,1-4H3,(H,20,23)
InChIKeyGUCZHRBIYZXGKJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.75
Rot. Bonds6

About 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide

4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide (PubChem CID 32511449) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
PubChem CID32511449
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
SMILESCOc1cc(NC(=O)CN2CCCCCC2=O)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C19H27N3O5/c1-21(2)19(25)13-10-15(26-3)16(27-4)11-14(13)20-17(23)12-22-9-7-5-6-8-18(22)24/h10-11H,5-9,12H2,1-4H3,(H,20,23)
InChIKeyGUCZHRBIYZXGKJ-UHFFFAOYSA-N
XLogP1.75
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide (CID 32511449) is 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide is COc1cc(NC(=O)CN2CCCCCC2=O)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
The InChIKey is GUCZHRBIYZXGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-21(2)19(25)13-10-15(26-3)16(27-4)11-14(13)20-17(23)12-22-9-7-5-6-8-18(22)24/h10-11H,5-9,12H2,1-4H3,(H,20,23).
What are the key properties of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 32511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).