N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide

C33H39N3O4 — CID 19705571

IUPACN-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide
SMILESCC(C)CC1(C(CCNC(=O)c2ccc(-c3ccccc3)cc2)C(=O)NO)CCN(CCc2ccccc2)C1=O
InChIInChI=1S/C33H39N3O4/c1-24(2)23-33(19-22-36(32(33)39)21-18-25-9-5-3-6-10-25)29(31(38)35-40)17-20-34-30(37)28-15-13-27(14-16-28)26-11-7-4-8-12-26/h3-16,24,29,40H,17-23H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyPPOSGUXYPXJTOD-UHFFFAOYSA-N
MW541.69 g/mol
LogP5.10
Rot. Bonds12

About N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide

N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide (PubChem CID 19705571) has the molecular formula C33H39N3O4 and a molecular weight of 541.69 g/mol. Its IUPAC name is N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide
PubChem CID19705571
Molecular FormulaC33H39N3O4
Molecular Weight541.69 g/mol
Exact Mass541.29
IUPAC NameN-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide
SMILESCC(C)CC1(C(CCNC(=O)c2ccc(-c3ccccc3)cc2)C(=O)NO)CCN(CCc2ccccc2)C1=O
InChIInChI=1S/C33H39N3O4/c1-24(2)23-33(19-22-36(32(33)39)21-18-25-9-5-3-6-10-25)29(31(38)35-40)17-20-34-30(37)28-15-13-27(14-16-28)26-11-7-4-8-12-26/h3-16,24,29,40H,17-23H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyPPOSGUXYPXJTOD-UHFFFAOYSA-N
XLogP5.10
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 55.10
H-Bond Donors ≤ 53
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

3-fluoro-N-[4-(hydroxyamino)-3-[(3S)-3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide
CID 149101041
3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide
CID 54187029
tert-butyl 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]butanoate
CID 19705505
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide
CID 87199843
(2R)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92734308
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
CID 59697016
(4S)-5-oxo-4-[(4-phenylbenzoyl)amino]-5-(4-phenylbutylamino)pentanoic acid
CID 67332259

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide (CID 19705571) is N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide is CC(C)CC1(C(CCNC(=O)c2ccc(-c3ccccc3)cc2)C(=O)NO)CCN(CCc2ccccc2)C1=O.
What is the InChIKey of N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide?
The InChIKey is PPOSGUXYPXJTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O4/c1-24(2)23-33(19-22-36(32(33)39)21-18-25-9-5-3-6-10-25)29(31(38)35-40)17-20-34-30(37)28-15-13-27(14-16-28)26-11-7-4-8-12-26/h3-16,24,29,40H,17-23H2,1-2H3,(H,34,37)(H,35,38).
What are the key properties of N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide?
N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide has a molecular weight of 541.69 g/mol, XLogP of 5.10, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide is sourced from PubChem (CID 19705571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).