N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide

C18H17N3O2 — CID 178186097

IUPACN-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide
SMILES[H]/N=C1\CC2Oc3cc(NC(C)=O)ccc3NC2c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15/h2-8,17-19,21H,9H2,1H3,(H,20,22)/b19-14+
InChIKeyBERQUKQURPORJD-XMHGGMMESA-N
MW307.35 g/mol
LogP3.33
Rot. Bonds1

About N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide

N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide (PubChem CID 178186097) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide.

Molecular Properties

Compound NameN-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide
PubChem CID178186097
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide
SMILES[H]/N=C1\CC2Oc3cc(NC(C)=O)ccc3NC2c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15/h2-8,17-19,21H,9H2,1H3,(H,20,22)/b19-14+
InChIKeyBERQUKQURPORJD-XMHGGMMESA-N
XLogP3.33
TPSA74.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
CID 19837990
N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 6929907
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
CID 853671
N-(3-methyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 119085478
N-[(3aR,4R,9bR)-4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide
CID 6963432
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
CID 22218129
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
N-(3-acetamidophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690475
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133

Frequently Asked Questions

What is the IUPAC name of N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide?
The IUPAC name of N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide (CID 178186097) is N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide.
What is the SMILES notation for N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide?
The canonical SMILES for N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide is [H]/N=C1\CC2Oc3cc(NC(C)=O)ccc3NC2c2ccccc21.
What is the InChIKey of N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide?
The InChIKey is BERQUKQURPORJD-XMHGGMMESA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15/h2-8,17-19,21H,9H2,1H3,(H,20,22)/b19-14+.
What are the key properties of N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide?
N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide is sourced from PubChem (CID 178186097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).