N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide

C17H22N2O4 — CID 11370567

IUPACN-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1ccc(CCCN2CC=C(CCC(=O)NO)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-23-15-7-4-13(5-8-15)3-2-11-19-12-10-14(17(19)21)6-9-16(20)18-22/h4-5,7-8,10,22H,2-3,6,9,11-12H2,1H3,(H,18,20)
InChIKeyNZFYYKNDKBXLCQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.68
Rot. Bonds8

About N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide

N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11370567) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11370567
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1ccc(CCCN2CC=C(CCC(=O)NO)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-23-15-7-4-13(5-8-15)3-2-11-19-12-10-14(17(19)21)6-9-16(20)18-22/h4-5,7-8,10,22H,2-3,6,9,11-12H2,1H3,(H,18,20)
InChIKeyNZFYYKNDKBXLCQ-UHFFFAOYSA-N
XLogP1.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
cyclo[Asu(NHOH)(NHOH)-D-Tyr(Me)-aIle-D-Pro]
CID 56665606
cyclo[Asu(NHOH)(NHOH)-D-Tyr(Me)-Ile-D-Pro]
CID 71458561
N-hydroxy-3-[1-[2-(4-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11150862
N-hydroxy-3-[1-[3-(2-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11220860
N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11231592
3-[1-(2,4-Dimethoxybenzyl)-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl]-n-hydroxy-propionamide
CID 11302073
N-hydroxy-3-[1-[2-(3-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11335716
N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11403547
N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11427127
N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11738253

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11370567) is N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide is COc1ccc(CCCN2CC=C(CCC(=O)NO)C2=O)cc1.
What is the InChIKey of N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is NZFYYKNDKBXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-23-15-7-4-13(5-8-15)3-2-11-19-12-10-14(17(19)21)6-9-16(20)18-22/h4-5,7-8,10,22H,2-3,6,9,11-12H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide has a molecular weight of 318.37 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11370567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).