5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide

C22H29ClN2O4 — CID 163539711

IUPAC5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
SMILESCCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(N(C)CCO)cc1
InChIInChI=1S/C22H29ClN2O4/c1-3-29-21(15-22(27)24-28)20(14-16-4-8-18(23)9-5-16)17-6-10-19(11-7-17)25(2)12-13-26/h4-11,20-21,26,28H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyFABNIVNEYPHHPH-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.40
Rot. Bonds11

About 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide

5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide (PubChem CID 163539711) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
PubChem CID163539711
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
SMILESCCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(N(C)CCO)cc1
InChIInChI=1S/C22H29ClN2O4/c1-3-29-21(15-22(27)24-28)20(14-16-4-8-18(23)9-5-16)17-6-10-19(11-7-17)25(2)12-13-26/h4-11,20-21,26,28H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyFABNIVNEYPHHPH-UHFFFAOYSA-N
XLogP3.40
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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

5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 145170995
tert-butyl 4-[[4-[(2R,3R)-1-(4-chlorophenyl)-3-ethoxy-5-(hydroxyamino)-5-oxopentan-2-yl]phenyl]methyl]piperazine-1-carboxylate
CID 122623402
potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide
CID 122623391
5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
CID 163942617
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-4-ylphenyl)pentanamide
CID 122623230
(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide
CID 145170986
(4R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 145170937
(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 122634703
5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide
CID 155409664
1-bromo-4-[(2R)-1-(4-chlorophenyl)-3-ethoxyhex-5-en-2-yl]benzene
CID 145171014
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide
CID 122623397
(3R,4R)-4-(1-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;2,2,2-trifluoroacetic acid
CID 155409622

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide?
The IUPAC name of 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide (CID 163539711) is 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide is CCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(N(C)CCO)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide?
The InChIKey is FABNIVNEYPHHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O4/c1-3-29-21(15-22(27)24-28)20(14-16-4-8-18(23)9-5-16)17-6-10-19(11-7-17)25(2)12-13-26/h4-11,20-21,26,28H,3,12-15H2,1-2H3,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide?
5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide has a molecular weight of 420.94 g/mol, XLogP of 3.40, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide is sourced from PubChem (CID 163539711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).