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

C12H21N3O2 — CID 61364815

IUPACN-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC1CCCCNC1=O
InChIInChI=1S/C12H21N3O2/c16-11(8-9-4-3-7-13-9)15-10-5-1-2-6-14-12(10)17/h9-10,13H,1-8H2,(H,14,17)(H,15,16)
InChIKeyXSXQJTBUALRJKT-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.09
Rot. Bonds3

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

N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61364815) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID61364815
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC1CCCCNC1=O
InChIInChI=1S/C12H21N3O2/c16-11(8-9-4-3-7-13-9)15-10-5-1-2-6-14-12(10)17/h9-10,13H,1-8H2,(H,14,17)(H,15,16)
InChIKeyXSXQJTBUALRJKT-UHFFFAOYSA-N
XLogP-0.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 80519686
2-(2-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62782706
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-(1-pyrrolidin-2-ylpropan-2-ylamino)azepan-2-one
CID 79541557
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide (CID 61364815) is N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is XSXQJTBUALRJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(8-9-4-3-7-13-9)15-10-5-1-2-6-14-12(10)17/h9-10,13H,1-8H2,(H,14,17)(H,15,16).
What are the key properties of N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide?
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61364815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).