(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide

C18H17N3O — CID 142065146

IUPAC(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide
SMILESCNc1cccc(C#C/C=C/C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C18H17N3O/c1-20-15-9-6-8-14(13-15)7-2-5-12-18(22)21-17-11-4-3-10-16(17)19/h3-6,8-13,20H,19H2,1H3,(H,21,22)/b12-5+
InChIKeyGTWSFQAWNSMQMU-LFYBBSHMSA-N
MW291.35 g/mol
LogP2.86
Rot. Bonds3

About (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide

(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide (PubChem CID 142065146) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide
PubChem CID142065146
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide
SMILESCNc1cccc(C#C/C=C/C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C18H17N3O/c1-20-15-9-6-8-14(13-15)7-2-5-12-18(22)21-17-11-4-3-10-16(17)19/h3-6,8-13,20H,19H2,1H3,(H,21,22)/b12-5+
InChIKeyGTWSFQAWNSMQMU-LFYBBSHMSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
CID 158521764
(E)-N-methyl-5-phenylpent-2-en-4-ynamide
CID 166437906
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
N-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-4-methylbenzamide
CID 45255726
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
CID 58974303
(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
CID 139368358
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
N-[3-(2-phenylethynyl)phenyl]acetamide
CID 90074626
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide?
The IUPAC name of (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide (CID 142065146) is (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide is CNc1cccc(C#C/C=C/C(=O)Nc2ccccc2N)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide?
The InChIKey is GTWSFQAWNSMQMU-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H17N3O/c1-20-15-9-6-8-14(13-15)7-2-5-12-18(22)21-17-11-4-3-10-16(17)19/h3-6,8-13,20H,19H2,1H3,(H,21,22)/b12-5+.
What are the key properties of (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide?
(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide has a molecular weight of 291.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide is sourced from PubChem (CID 142065146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).