(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide

C15H18N6O3 — CID 172976707

IUPAC(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H18N6O3/c16-9-13(15(17)18)20-19-11-2-1-3-12(8-11)24-10-14(22)21-4-6-23-7-5-21/h1-3,8,19H,4-7,10H2,(H3,17,18)/b20-13+
InChIKeySQJSGADMEAMANM-DEDYPNTBSA-N
MW330.35 g/mol
LogP0.15
Rot. Bonds6

About (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide (PubChem CID 172976707) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide
PubChem CID172976707
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H18N6O3/c16-9-13(15(17)18)20-19-11-2-1-3-12(8-11)24-10-14(22)21-4-6-23-7-5-21/h1-3,8,19H,4-7,10H2,(H3,17,18)/b20-13+
InChIKeySQJSGADMEAMANM-DEDYPNTBSA-N
XLogP0.15
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537523
methyl 2-[3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]acetate
CID 172976197
N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide
CID 6822999
(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
CID 12526358
(1Z)-2-amino-N-[3-(cyclopropanecarbonylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172976419
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
benzyl N-[3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]carbamate
CID 172978187
(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide
CID 172979376
propan-2-yl 3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]benzoate
CID 172931870
methyl 3-[3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]-1H-pyrazole-5-carboxylate
CID 172978184
(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)carbamoyl]anilino]ethanimidoyl cyanide
CID 172976313
(1Z)-2-amino-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172978140

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide (CID 172976707) is (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cccc(OCC(=O)N2CCOCC2)c1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide?
The InChIKey is SQJSGADMEAMANM-DEDYPNTBSA-N. The full InChI is InChI=1S/C15H18N6O3/c16-9-13(15(17)18)20-19-11-2-1-3-12(8-11)24-10-14(22)21-4-6-23-7-5-21/h1-3,8,19H,4-7,10H2,(H3,17,18)/b20-13+.
What are the key properties of (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide has a molecular weight of 330.35 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172976707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).