N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide

C28H30N2O5 — CID 23001577

IUPACN-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide
SMILESCC1(c2ccc(OCc3ccccc3)cc2)CCN(C(COCc2ccccc2)C(=O)NO)C1=O
InChIInChI=1S/C28H30N2O5/c1-28(23-12-14-24(15-13-23)35-19-22-10-6-3-7-11-22)16-17-30(27(28)32)25(26(31)29-33)20-34-18-21-8-4-2-5-9-21/h2-15,25,33H,16-20H2,1H3,(H,29,31)
InChIKeyKVFFMCHAVLDTET-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.85
Rot. Bonds10

About N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide

N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide (PubChem CID 23001577) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide
PubChem CID23001577
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC NameN-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide
SMILESCC1(c2ccc(OCc3ccccc3)cc2)CCN(C(COCc2ccccc2)C(=O)NO)C1=O
InChIInChI=1S/C28H30N2O5/c1-28(23-12-14-24(15-13-23)35-19-22-10-6-3-7-11-22)16-17-30(27(28)32)25(26(31)29-33)20-34-18-21-8-4-2-5-9-21/h2-15,25,33H,16-20H2,1H3,(H,29,31)
InChIKeyKVFFMCHAVLDTET-UHFFFAOYSA-N
XLogP3.85
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10165199
(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10950008
N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 10112389
N-[3-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamate
CID 22456100
2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10160295
N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide
CID 10138922
tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid
CID 23001604
(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 90668112
N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 10179360

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide?
The IUPAC name of N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide (CID 23001577) is N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide is CC1(c2ccc(OCc3ccccc3)cc2)CCN(C(COCc2ccccc2)C(=O)NO)C1=O.
What is the InChIKey of N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide?
The InChIKey is KVFFMCHAVLDTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-28(23-12-14-24(15-13-23)35-19-22-10-6-3-7-11-22)16-17-30(27(28)32)25(26(31)29-33)20-34-18-21-8-4-2-5-9-21/h2-15,25,33H,16-20H2,1H3,(H,29,31).
What are the key properties of N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide?
N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide has a molecular weight of 474.56 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 23001577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).