N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide

C18H21NO2 — CID 18618665

IUPACN-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide
SMILESO=C(CCc1ccc(CCCc2ccccc2)cc1)NO
InChIInChI=1S/C18H21NO2/c20-18(19-21)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,21H,4,7-8,13-14H2,(H,19,20)
InChIKeyXLIDHFSNELSTHM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.30
Rot. Bonds7

About N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide

N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide (PubChem CID 18618665) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide
PubChem CID18618665
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide
SMILESO=C(CCc1ccc(CCCc2ccccc2)cc1)NO
InChIInChI=1S/C18H21NO2/c20-18(19-21)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,21H,4,7-8,13-14H2,(H,19,20)
InChIKeyXLIDHFSNELSTHM-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide?
The IUPAC name of N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide (CID 18618665) is N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide.
What is the SMILES notation for N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide?
The canonical SMILES for N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide is O=C(CCc1ccc(CCCc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide?
The InChIKey is XLIDHFSNELSTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(19-21)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,21H,4,7-8,13-14H2,(H,19,20).
What are the key properties of N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide?
N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide has a molecular weight of 283.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(3-phenylpropyl)phenyl]propanamide is sourced from PubChem (CID 18618665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).