N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide

C24H30N4O4 — CID 118362902

IUPACN'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide
SMILESCC(CC(=O)Nc1ccc(CCCC(=O)Nc2ccc(C3CC3N)cc2)cc1)C(=O)NO
InChIInChI=1S/C24H30N4O4/c1-15(24(31)28-32)13-23(30)27-18-9-5-16(6-10-18)3-2-4-22(29)26-19-11-7-17(8-12-19)20-14-21(20)25/h5-12,15,20-21,32H,2-4,13-14,25H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyMIUIEJRDDRHQDE-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.93
Rot. Bonds10

About N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide

N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide (PubChem CID 118362902) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide.

Molecular Properties

Compound NameN'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide
PubChem CID118362902
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide
SMILESCC(CC(=O)Nc1ccc(CCCC(=O)Nc2ccc(C3CC3N)cc2)cc1)C(=O)NO
InChIInChI=1S/C24H30N4O4/c1-15(24(31)28-32)13-23(30)27-18-9-5-16(6-10-18)3-2-4-22(29)26-19-11-7-17(8-12-19)20-14-21(20)25/h5-12,15,20-21,32H,2-4,13-14,25H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyMIUIEJRDDRHQDE-UHFFFAOYSA-N
XLogP2.93
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.93
H-Bond Donors ≤ 55
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

N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide
CID 86676519
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-N'-hydroxyoctanediamide;hydrochloride
CID 89400497
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842
4-[4-[4-[2-(aminomethyl)cyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
CID 159868065
tert-butyl N-[[2-[4-[4-[4-(propanoylamino)phenyl]butanoylamino]phenyl]cyclopropyl]amino]carbamate
CID 155469202
N-[4-[3-[4-[3-[[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutanoyl]amino]propylamino]butylamino]propylcarbamoyl]phenyl]-N'-hydroxyoctanediamide
CID 177374283
methyl 4-[4-[4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclopropyl]anilino]-4-oxobutyl]benzoate
CID 118362847
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-heptylphenyl)heptanamide
CID 101077737
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide?
The IUPAC name of N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide (CID 118362902) is N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide.
What is the SMILES notation for N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide?
The canonical SMILES for N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide is CC(CC(=O)Nc1ccc(CCCC(=O)Nc2ccc(C3CC3N)cc2)cc1)C(=O)NO.
What is the InChIKey of N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide?
The InChIKey is MIUIEJRDDRHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-15(24(31)28-32)13-23(30)27-18-9-5-16(6-10-18)3-2-4-22(29)26-19-11-7-17(8-12-19)20-14-21(20)25/h5-12,15,20-21,32H,2-4,13-14,25H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide?
N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide has a molecular weight of 438.53 g/mol, XLogP of 2.93, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]phenyl]-N-hydroxy-2-methylbutanediamide is sourced from PubChem (CID 118362902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).