2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide

C19H23NO3 — CID 53315833

IUPAC2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide
SMILESCCCCOc1ccc(C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C19H23NO3/c1-2-3-13-23-17-11-9-16(10-12-17)18(19(21)20-22)14-15-7-5-4-6-8-15/h4-12,18,22H,2-3,13-14H2,1H3,(H,20,21)
InChIKeyXPPOPMPUTXJTCQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.70
Rot. Bonds8

About 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide

2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide (PubChem CID 53315833) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide
PubChem CID53315833
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide
SMILESCCCCOc1ccc(C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C19H23NO3/c1-2-3-13-23-17-11-9-16(10-12-17)18(19(21)20-22)14-15-7-5-4-6-8-15/h4-12,18,22H,2-3,13-14H2,1H3,(H,20,21)
InChIKeyXPPOPMPUTXJTCQ-UHFFFAOYSA-N
XLogP3.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide
CID 86624467
(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 40563834
(2S)-3-amino-2-(4-butoxyphenyl)propanoic acid
CID 125032808
acetic acid;butoxybenzene
CID 162338086
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
2-(4-tert-butylphenyl)-3-(4-propoxyphenyl)propanoic acid
CID 67490583
3-O-benzyl 1-O-methyl 2-(4-undecoxyphenyl)propanedioate
CID 23044609
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836
1-[1-(4-butoxyphenyl)ethyl]-3-hydroxyurea
CID 19804452

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide (CID 53315833) is 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide is CCCCOc1ccc(C(Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide?
The InChIKey is XPPOPMPUTXJTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-3-13-23-17-11-9-16(10-12-17)18(19(21)20-22)14-15-7-5-4-6-8-15/h4-12,18,22H,2-3,13-14H2,1H3,(H,20,21).
What are the key properties of 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide?
2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 53315833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).