N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide

C24H20N2O4 — CID 154425563

IUPACN-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cc(NC(=O)C=Cc2ccccc2)c(O)cc1O
InChIInChI=1S/C24H20N2O4/c27-21-16-22(28)20(26-24(30)14-12-18-9-5-2-6-10-18)15-19(21)25-23(29)13-11-17-7-3-1-4-8-17/h1-16,27-28H,(H,25,29)(H,26,30)
InChIKeyYEDUTWHFQUMACR-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.40
Rot. Bonds6

About N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide

N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide (PubChem CID 154425563) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
PubChem CID154425563
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cc(NC(=O)C=Cc2ccccc2)c(O)cc1O
InChIInChI=1S/C24H20N2O4/c27-21-16-22(28)20(26-24(30)14-12-18-9-5-2-6-10-18)15-19(21)25-23(29)13-11-17-7-3-1-4-8-17/h1-16,27-28H,(H,25,29)(H,26,30)
InChIKeyYEDUTWHFQUMACR-UHFFFAOYSA-N
XLogP4.40
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
3,4-bis[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 35209489
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide
CID 101479508
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
CID 74868716
5-bromo-2-(3-phenylprop-2-enoylamino)benzoic acid
CID 72738376

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide (CID 154425563) is N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1cc(NC(=O)C=Cc2ccccc2)c(O)cc1O.
What is the InChIKey of N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide?
The InChIKey is YEDUTWHFQUMACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-21-16-22(28)20(26-24(30)14-12-18-9-5-2-6-10-18)15-19(21)25-23(29)13-11-17-7-3-1-4-8-17/h1-16,27-28H,(H,25,29)(H,26,30).
What are the key properties of N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide?
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide has a molecular weight of 400.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 154425563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).