2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide

C17H21N3O2 — CID 143455262

IUPAC2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide
SMILESNC(=O)CNC1=C(N2CCOCC2)C2=CC=CC=CC2C=C1
InChIInChI=1S/C17H21N3O2/c18-16(21)12-19-15-7-6-13-4-2-1-3-5-14(13)17(15)20-8-10-22-11-9-20/h1-7,13,19H,8-12H2,(H2,18,21)
InChIKeyREEPDCFPMWYZNZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.84
Rot. Bonds4

About 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide

2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide (PubChem CID 143455262) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide
PubChem CID143455262
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide
SMILESNC(=O)CNC1=C(N2CCOCC2)C2=CC=CC=CC2C=C1
InChIInChI=1S/C17H21N3O2/c18-16(21)12-19-15-7-6-13-4-2-1-3-5-14(13)17(15)20-8-10-22-11-9-20/h1-7,13,19H,8-12H2,(H2,18,21)
InChIKeyREEPDCFPMWYZNZ-UHFFFAOYSA-N
XLogP0.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide?
The IUPAC name of 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide (CID 143455262) is 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide?
The canonical SMILES for 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide is NC(=O)CNC1=C(N2CCOCC2)C2=CC=CC=CC2C=C1.
What is the InChIKey of 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide?
The InChIKey is REEPDCFPMWYZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-16(21)12-19-15-7-6-13-4-2-1-3-5-14(13)17(15)20-8-10-22-11-9-20/h1-7,13,19H,8-12H2,(H2,18,21).
What are the key properties of 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide?
2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide has a molecular weight of 299.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide is sourced from PubChem (CID 143455262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).