N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide

C21H20N2O3 — CID 85330809

IUPACN-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(C=CC(=O)Nc1cccc(C=CC(=O)NO)c1)=Cc1ccccc1
InChIInChI=1S/C21H20N2O3/c1-16(14-17-6-3-2-4-7-17)10-12-20(24)22-19-9-5-8-18(15-19)11-13-21(25)23-26/h2-15,26H,1H3,(H,22,24)(H,23,25)
InChIKeyDWLKURFLMUIMJS-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.80
Rot. Bonds6

About N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide

N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide (PubChem CID 85330809) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide
PubChem CID85330809
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(C=CC(=O)Nc1cccc(C=CC(=O)NO)c1)=Cc1ccccc1
InChIInChI=1S/C21H20N2O3/c1-16(14-17-6-3-2-4-7-17)10-12-20(24)22-19-9-5-8-18(15-19)11-13-21(25)23-26/h2-15,26H,1H3,(H,22,24)(H,23,25)
InChIKeyDWLKURFLMUIMJS-UHFFFAOYSA-N
XLogP3.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide?
The IUPAC name of N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide (CID 85330809) is N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide?
The canonical SMILES for N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide is CC(C=CC(=O)Nc1cccc(C=CC(=O)NO)c1)=Cc1ccccc1.
What is the InChIKey of N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide?
The InChIKey is DWLKURFLMUIMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-16(14-17-6-3-2-4-7-17)10-12-20(24)22-19-9-5-8-18(15-19)11-13-21(25)23-26/h2-15,26H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide?
N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide has a molecular weight of 348.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 85330809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).