N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide

C14H14N2O3 — CID 57231962

IUPACN-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC/N=C1\C(=O)c2ccccc2C(=O)C1NC(C)=O
InChIInChI=1S/C14H14N2O3/c1-3-15-11-12(16-8(2)17)14(19)10-7-5-4-6-9(10)13(11)18/h4-7,12H,3H2,1-2H3,(H,16,17)/b15-11-
InChIKeyPIVZICHJIKTQTD-PTNGSMBKSA-N
MW258.28 g/mol
LogP1.03
Rot. Bonds2

About N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide

N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide (PubChem CID 57231962) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide
PubChem CID57231962
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC/N=C1\C(=O)c2ccccc2C(=O)C1NC(C)=O
InChIInChI=1S/C14H14N2O3/c1-3-15-11-12(16-8(2)17)14(19)10-7-5-4-6-9(10)13(11)18/h4-7,12H,3H2,1-2H3,(H,16,17)/b15-11-
InChIKeyPIVZICHJIKTQTD-PTNGSMBKSA-N
XLogP1.03
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-[(4-methoxyphenyl)methylimino]-1,4-dioxonaphthalen-2-yl]acetamide
CID 7289963
(3S)-2-(2-hydroxyethylimino)-3-(3-methoxyanilino)naphthalene-1,4-dione
CID 7325095
N-[3-(3-methyl-1,4-dioxonaphthalen-2-yl)propyl]acetamide
CID 71479860
N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide
CID 19841377
anthracene-9,10-dione;propane
CID 162068050
N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide
CID 54020507
(1,4-dioxo-3-phenylnaphthalen-2-ylidene)carbamic acid
CID 175422084
2-(2-methylbutanoyl)indene-1,3-dione
CID 70636763
tris(fluoren-9-one);methane;methanol;propane
CID 158940113
N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 93234150
N-[2-(fluoren-9-ylideneamino)ethyl]acetamide
CID 154187411
(2R)-2-[(3-chloro-1,4-dioxonaphthalen-2-ylidene)amino]butanedioic acid
CID 7068180

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide?
The IUPAC name of N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide (CID 57231962) is N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide is CC/N=C1\C(=O)c2ccccc2C(=O)C1NC(C)=O.
What is the InChIKey of N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide?
The InChIKey is PIVZICHJIKTQTD-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-15-11-12(16-8(2)17)14(19)10-7-5-4-6-9(10)13(11)18/h4-7,12H,3H2,1-2H3,(H,16,17)/b15-11-.
What are the key properties of N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide?
N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide has a molecular weight of 258.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylimino-1,4-dioxonaphthalen-2-yl)acetamide is sourced from PubChem (CID 57231962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).