N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide

C19H21N3O3 — CID 174592116

IUPACN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C19H21N3O3/c23-18(16-7-4-12-20-16)21-15-10-8-14(9-11-15)17(19(24)22-25)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17,20,25H,4,7,12H2,(H,21,23)(H,22,24)
InChIKeyXTBNLESZXRUEGT-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.01
Rot. Bonds5

About N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide

N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 174592116) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID174592116
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C19H21N3O3/c23-18(16-7-4-12-20-16)21-15-10-8-14(9-11-15)17(19(24)22-25)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17,20,25H,4,7,12H2,(H,21,23)(H,22,24)
InChIKeyXTBNLESZXRUEGT-UHFFFAOYSA-N
XLogP2.01
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.01
H-Bond Donors ≤ 54
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

(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2R)-N-(3,5-diphenylphenyl)pyrrolidine-2-carboxamide
CID 121274963
N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280457
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide (CID 174592116) is N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)C1CCCN1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XTBNLESZXRUEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(16-7-4-12-20-16)21-15-10-8-14(9-11-15)17(19(24)22-25)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17,20,25H,4,7,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide?
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 174592116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).