N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide

C19H28Cl2N2O5 — CID 22946149

IUPACN-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide
SMILESCCOC(O)CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)N(O)C(=O)CCC(C)C
InChIInChI=1S/C19H28Cl2N2O5/c1-4-28-18(25)11-22-19(26)16(23(27)17(24)8-5-12(2)3)10-13-6-7-14(20)15(21)9-13/h6-7,9,12,16,18,25,27H,4-5,8,10-11H2,1-3H3,(H,22,26)/t16-,18?/m0/s1
InChIKeyCXEQJYAEKUCWHC-ATNAJCNCSA-N
MW435.35 g/mol
LogP3.03
Rot. Bonds11

About N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide

N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 22946149) has the molecular formula C19H28Cl2N2O5 and a molecular weight of 435.35 g/mol. Its IUPAC name is N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide
PubChem CID22946149
Molecular FormulaC19H28Cl2N2O5
Molecular Weight435.35 g/mol
Exact Mass434.14
IUPAC NameN-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide
SMILESCCOC(O)CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)N(O)C(=O)CCC(C)C
InChIInChI=1S/C19H28Cl2N2O5/c1-4-28-18(25)11-22-19(26)16(23(27)17(24)8-5-12(2)3)10-13-6-7-14(20)15(21)9-13/h6-7,9,12,16,18,25,27H,4-5,8,10-11H2,1-3H3,(H,22,26)/t16-,18?/m0/s1
InChIKeyCXEQJYAEKUCWHC-ATNAJCNCSA-N
XLogP3.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide (CID 22946149) is N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide is CCOC(O)CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)N(O)C(=O)CCC(C)C.
What is the InChIKey of N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is CXEQJYAEKUCWHC-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H28Cl2N2O5/c1-4-28-18(25)11-22-19(26)16(23(27)17(24)8-5-12(2)3)10-13-6-7-14(20)15(21)9-13/h6-7,9,12,16,18,25,27H,4-5,8,10-11H2,1-3H3,(H,22,26)/t16-,18?/m0/s1.
What are the key properties of N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide?
N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 435.35 g/mol, XLogP of 3.03, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,4-dichlorophenyl)-1-[(2-ethoxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 22946149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).