(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane

C16H26N2O — CID 142888465

IUPAC(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane
SMILESC.C/C=C(N)\C(=C/C)C(=O)Nc1ccccc1.CC
InChIInChI=1S/C13H16N2O.C2H6.CH4/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10;1-2;/h3-9H,14H2,1-2H3,(H,15,16);1-2H3;1H4/b11-3+,12-4+;;
InChIKeyOTEWNQSBLSJAIY-CARBNFPJSA-N
MW262.40 g/mol
LogP4.10
Rot. Bonds3

About (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane

(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane (PubChem CID 142888465) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane.

Molecular Properties

Compound Name(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane
PubChem CID142888465
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane
SMILESC.C/C=C(N)\C(=C/C)C(=O)Nc1ccccc1.CC
InChIInChI=1S/C13H16N2O.C2H6.CH4/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10;1-2;/h3-9H,14H2,1-2H3,(H,15,16);1-2H3;1H4/b11-3+,12-4+;;
InChIKeyOTEWNQSBLSJAIY-CARBNFPJSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide
CID 118332439
2-anilino-N-phenylprop-2-enamide
CID 20522355
carbamic acid;methane;phenylcarbamic acid
CID 70508846
ethane;methane;N-phenylpropanamide
CID 159778408
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide
CID 87529383
2-phenoxy-N-phenylbut-2-enamide
CID 70600024
ethane;N-phenylcarbamoyl chloride
CID 91362970
molecular hydrogen;phenylurea
CID 143657584
potassium 2-anilino-2-oxoacetate
CID 23690423
N'-hydroxy-N-phenyloxamide
CID 5008441
(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide
CID 143906121

Frequently Asked Questions

What is the IUPAC name of (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane?
The IUPAC name of (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane (CID 142888465) is (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane.
What is the SMILES notation for (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane?
The canonical SMILES for (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane is C.C/C=C(N)\C(=C/C)C(=O)Nc1ccccc1.CC.
What is the InChIKey of (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane?
The InChIKey is OTEWNQSBLSJAIY-CARBNFPJSA-N. The full InChI is InChI=1S/C13H16N2O.C2H6.CH4/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10;1-2;/h3-9H,14H2,1-2H3,(H,15,16);1-2H3;1H4/b11-3+,12-4+;;.
What are the key properties of (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane?
(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane has a molecular weight of 262.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane is sourced from PubChem (CID 142888465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).