N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene

C19H25NO2 — CID 142065089

IUPACN-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene
SMILESCCCc1ccc(CCCc2ccccc2)cc1.O=CNO
InChIInChI=1S/C18H22.CH3NO2/c1-2-7-16-12-14-18(15-13-16)11-6-10-17-8-4-3-5-9-17;3-1-2-4/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3;1,4H,(H,2,3)
InChIKeyJJXDKXUYAUFUPE-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.94
Rot. Bonds7

About N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene

N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene (PubChem CID 142065089) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene.

Molecular Properties

Compound NameN-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene
PubChem CID142065089
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene
SMILESCCCc1ccc(CCCc2ccccc2)cc1.O=CNO
InChIInChI=1S/C18H22.CH3NO2/c1-2-7-16-12-14-18(15-13-16)11-6-10-17-8-4-3-5-9-17;3-1-2-4/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3;1,4H,(H,2,3)
InChIKeyJJXDKXUYAUFUPE-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene?
The IUPAC name of N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene (CID 142065089) is N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene.
What is the SMILES notation for N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene?
The canonical SMILES for N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene is CCCc1ccc(CCCc2ccccc2)cc1.O=CNO.
What is the InChIKey of N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene?
The InChIKey is JJXDKXUYAUFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.CH3NO2/c1-2-7-16-12-14-18(15-13-16)11-6-10-17-8-4-3-5-9-17;3-1-2-4/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3;1,4H,(H,2,3).
What are the key properties of N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene?
N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene has a molecular weight of 299.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyformamide;1-(3-phenylpropyl)-4-propylbenzene is sourced from PubChem (CID 142065089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).