2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

C15H27N3O2 — CID 119531180

IUPAC2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CN1CCCCCC1=O)C1CCNC1
InChIInChI=1S/C15H27N3O2/c1-2-9-18(13-7-8-16-11-13)15(20)12-17-10-5-3-4-6-14(17)19/h13,16H,2-12H2,1H3
InChIKeyYBPZUIDDRRDPJN-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.99
Rot. Bonds5

About 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119531180) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID119531180
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CN1CCCCCC1=O)C1CCNC1
InChIInChI=1S/C15H27N3O2/c1-2-9-18(13-7-8-16-11-13)15(20)12-17-10-5-3-4-6-14(17)19/h13,16H,2-12H2,1H3
InChIKeyYBPZUIDDRRDPJN-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352
2-(2,4-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530519
N-cyclopentyl-N-ethyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78864293
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119194934
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119532161
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
N-[2-[methyl(pyrrolidin-3-yl)amino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63297725
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532672
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119531751

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 119531180) is 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)CN1CCCCCC1=O)C1CCNC1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is YBPZUIDDRRDPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-9-18(13-7-8-16-11-13)15(20)12-17-10-5-3-4-6-14(17)19/h13,16H,2-12H2,1H3.
What are the key properties of 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 281.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119531180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).