(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide

C18H12N2O — CID 100985108

IUPAC(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide
SMILESN#C/C(=C\C#Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H12N2O/c19-14-16(11-7-10-15-8-3-1-4-9-15)18(21)20-17-12-5-2-6-13-17/h1-6,8-9,11-13H,(H,20,21)/b16-11+
InChIKeyGQVBIGHXPYZKLQ-LFIBNONCSA-N
MW272.31 g/mol
LogP3.13
Rot. Bonds2

About (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide

(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide (PubChem CID 100985108) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide
PubChem CID100985108
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide
SMILESN#C/C(=C\C#Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H12N2O/c19-14-16(11-7-10-15-8-3-1-4-9-15)18(21)20-17-12-5-2-6-13-17/h1-6,8-9,11-13H,(H,20,21)/b16-11+
InChIKeyGQVBIGHXPYZKLQ-LFIBNONCSA-N
XLogP3.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348
(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866
2-cyano-3-(3-fluorophenyl)-N-phenylprop-2-enamide
CID 4136731
4-[[(Z)-3-(4-anilinoanilino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823324
(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide
CID 24805692
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953
(Z)-2-cyano-3-(dibenzylamino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849689
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide
CID 108827325
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide?
The IUPAC name of (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide (CID 100985108) is (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide.
What is the SMILES notation for (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide?
The canonical SMILES for (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide is N#C/C(=C\C#Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide?
The InChIKey is GQVBIGHXPYZKLQ-LFIBNONCSA-N. The full InChI is InChI=1S/C18H12N2O/c19-14-16(11-7-10-15-8-3-1-4-9-15)18(21)20-17-12-5-2-6-13-17/h1-6,8-9,11-13H,(H,20,21)/b16-11+.
What are the key properties of (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide?
(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide has a molecular weight of 272.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide is sourced from PubChem (CID 100985108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).