(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide

C16H20N2O — CID 118857982

IUPAC(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide
SMILESC=C(NC)c1ccc(/C=C/C(=O)NC/C=C/C)cc1
InChIInChI=1S/C16H20N2O/c1-4-5-12-18-16(19)11-8-14-6-9-15(10-7-14)13(2)17-3/h4-11,17H,2,12H2,1,3H3,(H,18,19)/b5-4+,11-8+
InChIKeyICSPQTSSONHWJQ-OCJIRGAFSA-N
MW256.35 g/mol
LogP2.58
Rot. Bonds6

About (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide

(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide (PubChem CID 118857982) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide
PubChem CID118857982
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide
SMILESC=C(NC)c1ccc(/C=C/C(=O)NC/C=C/C)cc1
InChIInChI=1S/C16H20N2O/c1-4-5-12-18-16(19)11-8-14-6-9-15(10-7-14)13(2)17-3/h4-11,17H,2,12H2,1,3H3,(H,18,19)/b5-4+,11-8+
InChIKeyICSPQTSSONHWJQ-OCJIRGAFSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromophenyl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115627994
4-[3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55878504
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide
CID 59841901
(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 13364699
4-[(E)-3-(2-bromoprop-2-enylamino)-3-oxoprop-1-enyl]benzamide
CID 115672232
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
methyl (E)-3-[4-[2-[4-[(E)-3-(methylamino)-3-oxoprop-1-enyl]phenyl]-2-oxoacetyl]phenyl]prop-2-enoate
CID 21334858
N-methyl-4-[(E)-3-[4-(3-methylbutanoylamino)anilino]-3-oxoprop-1-enyl]benzamide
CID 46556757
4-[(E)-3-[3-(2-methoxyethoxy)propylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134035141

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide (CID 118857982) is (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide is C=C(NC)c1ccc(/C=C/C(=O)NC/C=C/C)cc1.
What is the InChIKey of (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide?
The InChIKey is ICSPQTSSONHWJQ-OCJIRGAFSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-5-12-18-16(19)11-8-14-6-9-15(10-7-14)13(2)17-3/h4-11,17H,2,12H2,1,3H3,(H,18,19)/b5-4+,11-8+.
What are the key properties of (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide?
(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide has a molecular weight of 256.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 118857982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).