N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide

C20H19N3O3 — CID 20579503

IUPACN-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(/C=C/c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C20H19N3O3/c24-19(12-8-15-13-21-18-4-2-1-3-17(15)18)22-16-9-5-14(6-10-16)7-11-20(25)23-26/h1-7,9-11,13,21,26H,8,12H2,(H,22,24)(H,23,25)/b11-7+
InChIKeyVPTWWTNAZFRHDQ-YRNVUSSQSA-N
MW349.39 g/mol
LogP3.26
Rot. Bonds6

About N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide

N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 20579503) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID20579503
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(/C=C/c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C20H19N3O3/c24-19(12-8-15-13-21-18-4-2-1-3-17(15)18)22-16-9-5-14(6-10-16)7-11-20(25)23-26/h1-7,9-11,13,21,26H,8,12H2,(H,22,24)(H,23,25)/b11-7+
InChIKeyVPTWWTNAZFRHDQ-YRNVUSSQSA-N
XLogP3.26
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.26
H-Bond Donors ≤ 54
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'}

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Related Compounds

(2S)-2-amino-N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 59055370
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide
CID 2862401
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
ethane;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
CID 90853890
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide (CID 20579503) is N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide is O=C(/C=C/c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1)NO.
What is the InChIKey of N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is VPTWWTNAZFRHDQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(12-8-15-13-21-18-4-2-1-3-17(15)18)22-16-9-5-14(6-10-16)7-11-20(25)23-26/h1-7,9-11,13,21,26H,8,12H2,(H,22,24)(H,23,25)/b11-7+.
What are the key properties of N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide?
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 20579503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).