N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide

C22H21N3O3 — CID 20688806

IUPACN-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
SMILESCCN(CC)c1ccc2nc3c4c(NC(C)=O)cccc4c(=O)cc-3oc2c1
InChIInChI=1S/C22H21N3O3/c1-4-25(5-2)14-9-10-16-19(11-14)28-20-12-18(27)15-7-6-8-17(23-13(3)26)21(15)22(20)24-16/h6-12H,4-5H2,1-3H3,(H,23,26)
InChIKeyMGEJRZWYVZKBQF-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.25
Rot. Bonds4

About N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide

N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide (PubChem CID 20688806) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
PubChem CID20688806
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
SMILESCCN(CC)c1ccc2nc3c4c(NC(C)=O)cccc4c(=O)cc-3oc2c1
InChIInChI=1S/C22H21N3O3/c1-4-25(5-2)14-9-10-16-19(11-14)28-20-12-18(27)15-7-6-8-17(23-13(3)26)21(15)22(20)24-16/h6-12H,4-5H2,1-3H3,(H,23,26)
InChIKeyMGEJRZWYVZKBQF-UHFFFAOYSA-N
XLogP4.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-aminophenyl)ethynyl]-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 153356345
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]phthalic acid
CID 102469977
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]benzene-1,2-dicarboxamide
CID 101460651
6-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoic acid
CID 10527463
4-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-3-yl]benzonitrile
CID 153356351
N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide
CID 18730896
9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide
CID 170900319
3-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]prop-2-ynenitrile;ethane
CID 144768606
9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide
CID 18730904
2-amino-7-(diethylamino)phenoxazin-3-one
CID 132509564
9-[bis(2-ethylhexyl)amino]benzo[a]phenoxazin-5-one
CID 155293659
6-bromo-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 14512391

Frequently Asked Questions

What is the IUPAC name of N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide?
The IUPAC name of N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide (CID 20688806) is N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide.
What is the SMILES notation for N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide?
The canonical SMILES for N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide is CCN(CC)c1ccc2nc3c4c(NC(C)=O)cccc4c(=O)cc-3oc2c1.
What is the InChIKey of N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide?
The InChIKey is MGEJRZWYVZKBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-4-25(5-2)14-9-10-16-19(11-14)28-20-12-18(27)15-7-6-8-17(23-13(3)26)21(15)22(20)24-16/h6-12H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide?
N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide is sourced from PubChem (CID 20688806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).