(Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid

C22H25NO2 — CID 143093733

IUPAC(Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid
SMILESC/C=C\C.C=C(Cc1ccccc1)Nc1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C18H17NO2.C4H8/c1-14(13-16-5-3-2-4-6-16)19-17-10-7-15(8-11-17)9-12-18(20)21;1-3-4-2/h2-12,19H,1,13H2,(H,20,21);3-4H,1-2H3/b12-9+;4-3-
InChIKeyRYKKPLSOIZQXBK-RGRSLBHRSA-N
MW335.45 g/mol
LogP5.54
Rot. Bonds6

About (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid

(Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid (PubChem CID 143093733) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid
PubChem CID143093733
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid
SMILESC/C=C\C.C=C(Cc1ccccc1)Nc1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C18H17NO2.C4H8/c1-14(13-16-5-3-2-4-6-16)19-17-10-7-15(8-11-17)9-12-18(20)21;1-3-4-2/h2-12,19H,1,13H2,(H,20,21);3-4H,1-2H3/b12-9+;4-3-
InChIKeyRYKKPLSOIZQXBK-RGRSLBHRSA-N
XLogP5.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.54
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-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 45387481
(E)-3-[4-(phenylcarbamothioylamino)phenyl]prop-2-enoic acid
CID 91687037
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
3-[4-(carbamoylamino)phenyl]prop-2-enoic acid
CID 54391419
(Z)-3-phenylprop-2-enoic acid
CID 5372954
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
3-[4-(6-oxoheptanoylamino)phenyl]prop-2-enoic acid
CID 54350030
(Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid
CID 129407556
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
3-phenylprop-1-en-2-ylcarbamic acid
CID 130423849
ethanol;3-phenylprop-2-enoic acid
CID 158830805
(E)-3-[4-(tert-butylcarbamoylamino)phenyl]prop-2-enoic acid
CID 43654552

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid (CID 143093733) is (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid is C/C=C\C.C=C(Cc1ccccc1)Nc1ccc(/C=C/C(=O)O)cc1.
What is the InChIKey of (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid?
The InChIKey is RYKKPLSOIZQXBK-RGRSLBHRSA-N. The full InChI is InChI=1S/C18H17NO2.C4H8/c1-14(13-16-5-3-2-4-6-16)19-17-10-7-15(8-11-17)9-12-18(20)21;1-3-4-2/h2-12,19H,1,13H2,(H,20,21);3-4H,1-2H3/b12-9+;4-3-.
What are the key properties of (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid?
(Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid has a molecular weight of 335.45 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 143093733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).