N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide

C20H22N2O2 — CID 30483403

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H22N2O2/c23-18-6-2-12-22(18)13-3-11-21-20(24)17-10-9-15-8-7-14-4-1-5-16(17)19(14)15/h1,4-5,9-10H,2-3,6-8,11-13H2,(H,21,24)
InChIKeyQHRMOJUILOUFDO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.68
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 30483403) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID30483403
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H22N2O2/c23-18-6-2-12-22(18)13-3-11-21-20(24)17-10-9-15-8-7-14-4-1-5-16(17)19(14)15/h1,4-5,9-10H,2-3,6-8,11-13H2,(H,21,24)
InChIKeyQHRMOJUILOUFDO-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 30483403) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is QHRMOJUILOUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-18-6-2-12-22(18)13-3-11-21-20(24)17-10-9-15-8-7-14-4-1-5-16(17)19(14)15/h1,4-5,9-10H,2-3,6-8,11-13H2,(H,21,24).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 30483403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).