N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide

C12H13NO3 — CID 141299879

IUPACN-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
SMILESCCC(=O)c1ccc(C=CC(=O)NO)cc1
InChIInChI=1S/C12H13NO3/c1-2-11(14)10-6-3-9(4-7-10)5-8-12(15)13-16/h3-8,16H,2H2,1H3,(H,13,15)
InChIKeyAGDSBYZLSULUTM-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.80
Rot. Bonds4

About N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide

N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide (PubChem CID 141299879) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
PubChem CID141299879
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
SMILESCCC(=O)c1ccc(C=CC(=O)NO)cc1
InChIInChI=1S/C12H13NO3/c1-2-11(14)10-6-3-9(4-7-10)5-8-12(15)13-16/h3-8,16H,2H2,1H3,(H,13,15)
InChIKeyAGDSBYZLSULUTM-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
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

(E)-3-(4-propanoylphenyl)prop-2-enoic acid
CID 18348058
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
CID 18348054
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132
(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 157186787
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl] ethanesulfonate
CID 175271085
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]propanamide
CID 17195562
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
tert-butyl N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]amino]carbamate
CID 123502017

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide?
The IUPAC name of N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide (CID 141299879) is N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide?
The canonical SMILES for N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide is CCC(=O)c1ccc(C=CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide?
The InChIKey is AGDSBYZLSULUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-11(14)10-6-3-9(4-7-10)5-8-12(15)13-16/h3-8,16H,2H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide?
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide has a molecular weight of 219.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide is sourced from PubChem (CID 141299879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).