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

C17H22N2O4 — CID 11427127

IUPACN-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1cccc(CCCN2CC=C(CCC(=O)NO)C2=O)c1
InChIInChI=1S/C17H22N2O4/c1-23-15-6-2-4-13(12-15)5-3-10-19-11-9-14(17(19)21)7-8-16(20)18-22/h2,4,6,9,12,22H,3,5,7-8,10-11H2,1H3,(H,18,20)
InChIKeyYWJCERVXXKRBMO-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.68
Rot. Bonds8

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

N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11427127) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11427127
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1cccc(CCCN2CC=C(CCC(=O)NO)C2=O)c1
InChIInChI=1S/C17H22N2O4/c1-23-15-6-2-4-13(12-15)5-3-10-19-11-9-14(17(19)21)7-8-16(20)18-22/h2,4,6,9,12,22H,3,5,7-8,10-11H2,1H3,(H,18,20)
InChIKeyYWJCERVXXKRBMO-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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11427127) is N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide is COc1cccc(CCCN2CC=C(CCC(=O)NO)C2=O)c1.
What is the InChIKey of N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is YWJCERVXXKRBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-23-15-6-2-4-13(12-15)5-3-10-19-11-9-14(17(19)21)7-8-16(20)18-22/h2,4,6,9,12,22H,3,5,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[3-(3-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-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11427127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).