(2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide

C22H32Cl2N4O4 — CID 11420377

IUPAC(2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N(CCC1CCCC1)CC(=O)NO
InChIInChI=1S/C22H32Cl2N4O4/c1-22(2,3)19(26-21(31)25-17-9-8-15(23)12-16(17)24)20(30)28(13-18(29)27-32)11-10-14-6-4-5-7-14/h8-9,12,14,19,32H,4-7,10-11,13H2,1-3H3,(H,27,29)(H2,25,26,31)/t19-/m1/s1
InChIKeyXEUOBEWTWWZEBN-LJQANCHMSA-N
MW487.43 g/mol
LogP4.44
Rot. Bonds8

About (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide

(2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 11420377) has the molecular formula C22H32Cl2N4O4 and a molecular weight of 487.43 g/mol. Its IUPAC name is (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID11420377
Molecular FormulaC22H32Cl2N4O4
Molecular Weight487.43 g/mol
Exact Mass486.18
IUPAC Name(2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N(CCC1CCCC1)CC(=O)NO
InChIInChI=1S/C22H32Cl2N4O4/c1-22(2,3)19(26-21(31)25-17-9-8-15(23)12-16(17)24)20(30)28(13-18(29)27-32)11-10-14-6-4-5-7-14/h8-9,12,14,19,32H,4-7,10-11,13H2,1-3H3,(H,27,29)(H2,25,26,31)/t19-/m1/s1
InChIKeyXEUOBEWTWWZEBN-LJQANCHMSA-N
XLogP4.44
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide (CID 11420377) is (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N(CCC1CCCC1)CC(=O)NO.
What is the InChIKey of (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is XEUOBEWTWWZEBN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32Cl2N4O4/c1-22(2,3)19(26-21(31)25-17-9-8-15(23)12-16(17)24)20(30)28(13-18(29)27-32)11-10-14-6-4-5-7-14/h8-9,12,14,19,32H,4-7,10-11,13H2,1-3H3,(H,27,29)(H2,25,26,31)/t19-/m1/s1.
What are the key properties of (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide?
(2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 487.43 g/mol, XLogP of 4.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 11420377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).