2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide

C20H26N4O3 — CID 8862777

IUPAC2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN1CCCCCC1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H26N4O3/c1-15(16-7-5-8-17(13-16)24-12-6-10-20(24)27)21-22-18(25)14-23-11-4-2-3-9-19(23)26/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,22,25)/b21-15-
InChIKeyYQRYJLBDDZZPFU-QNGOZBTKSA-N
MW370.45 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide

2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide (PubChem CID 8862777) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
PubChem CID8862777
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN1CCCCCC1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H26N4O3/c1-15(16-7-5-8-17(13-16)24-12-6-10-20(24)27)21-22-18(25)14-23-11-4-2-3-9-19(23)26/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,22,25)/b21-15-
InChIKeyYQRYJLBDDZZPFU-QNGOZBTKSA-N
XLogP2.06
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8860986
4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 8826557
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
CID 8862793
1-[3-[C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]pyrrolidin-2-one
CID 71901547
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
4-methyl-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzenesulfonamide
CID 8826083
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide (CID 8862777) is 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide is C/C(=N/NC(=O)CN1CCCCCC1=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
The InChIKey is YQRYJLBDDZZPFU-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15(16-7-5-8-17(13-16)24-12-6-10-20(24)27)21-22-18(25)14-23-11-4-2-3-9-19(23)26/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,22,25)/b21-15-.
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 8862777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).