N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide

C21H22N2O3 — CID 76728695

IUPACN-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C2CCCN2C(=O)Cc2ccccc2)cc1)NO
InChIInChI=1S/C21H22N2O3/c24-20(22-26)13-10-16-8-11-18(12-9-16)19-7-4-14-23(19)21(25)15-17-5-2-1-3-6-17/h1-3,5-6,8-13,19,26H,4,7,14-15H2,(H,22,24)
InChIKeyITZQEJRPUKOLQH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds5

About N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide

N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide (PubChem CID 76728695) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
PubChem CID76728695
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C2CCCN2C(=O)Cc2ccccc2)cc1)NO
InChIInChI=1S/C21H22N2O3/c24-20(22-26)13-10-16-8-11-18(12-9-16)19-7-4-14-23(19)21(25)15-17-5-2-1-3-6-17/h1-3,5-6,8-13,19,26H,4,7,14-15H2,(H,22,24)
InChIKeyITZQEJRPUKOLQH-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide (CID 76728695) is N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(C2CCCN2C(=O)Cc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
The InChIKey is ITZQEJRPUKOLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(22-26)13-10-16-8-11-18(12-9-16)19-7-4-14-23(19)21(25)15-17-5-2-1-3-6-17/h1-3,5-6,8-13,19,26H,4,7,14-15H2,(H,22,24).
What are the key properties of N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 76728695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).