N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide

C19H28FN3O4 — CID 53320567

IUPACN-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C
InChIInChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1
InChIKeyOWFALUNDSZEADU-PBHICJAKSA-N
MW381.45 g/mol
LogP3.19
Rot. Bonds11

About N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide

N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (PubChem CID 53320567) has the molecular formula C19H28FN3O4 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
PubChem CID53320567
Molecular FormulaC19H28FN3O4
Molecular Weight381.45 g/mol
Exact Mass381.21
IUPAC NameN-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C
InChIInChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1
InChIKeyOWFALUNDSZEADU-PBHICJAKSA-N
XLogP3.19
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-((2R,4S)-2-butyl-5-methyl-3-oxo-4-(3-phenylureido)hexyl)-N-hydroxyformamide
CID 53321866
(2S)-2-[(2-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71584424
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127037876
(2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127039202
(2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide
CID 71454149
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71462987
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71584552
(2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
CID 46891573
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(4-fluorophenyl)-2,5-dihydropyrrole-2-carboxamide
CID 118712584
(2S)-N-(cyclopentylmethyl)-2-[(2-fluorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 11166115
(2S)-N-(cyclopentylmethyl)-2-[(4-fluorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 11177682
(2S)-N-(2-cyclopentylethyl)-2-[(2,5-difluorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3-methylbutanamide
CID 11236020

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (CID 53320567) is N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C.
What is the InChIKey of N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The InChIKey is OWFALUNDSZEADU-PBHICJAKSA-N. The full InChI is InChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1.
What are the key properties of N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide has a molecular weight of 381.45 g/mol, XLogP of 3.19, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-butyl-4-[(2-fluorophenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is sourced from PubChem (CID 53320567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).