N-[2-(4-phenylbutoxy)phenyl]formamide

C17H19NO2 — CID 150186708

IUPACN-[2-(4-phenylbutoxy)phenyl]formamide
SMILESO=CNc1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C17H19NO2/c19-14-18-16-11-4-5-12-17(16)20-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,18,19)
InChIKeyFMOQZEKJYKVVOR-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.66
Rot. Bonds8

About N-[2-(4-phenylbutoxy)phenyl]formamide

N-[2-(4-phenylbutoxy)phenyl]formamide (PubChem CID 150186708) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(4-phenylbutoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(4-phenylbutoxy)phenyl]formamide
PubChem CID150186708
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[2-(4-phenylbutoxy)phenyl]formamide
SMILESO=CNc1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C17H19NO2/c19-14-18-16-11-4-5-12-17(16)20-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,18,19)
InChIKeyFMOQZEKJYKVVOR-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-phenoxyethoxy)phenyl]formamide
CID 168654375
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-[2-(2,2-dimethylpropoxy)phenyl]formamide
CID 143321861
N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2,6-bis(5-phenylpentoxy)phenol
CID 57224356
18-phenyloctadecyl formate
CID 173425595
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
4-[2-(11-phenylundecanethioylamino)phenoxy]butanoic acid
CID 54559310

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylbutoxy)phenyl]formamide?
The IUPAC name of N-[2-(4-phenylbutoxy)phenyl]formamide (CID 150186708) is N-[2-(4-phenylbutoxy)phenyl]formamide.
What is the SMILES notation for N-[2-(4-phenylbutoxy)phenyl]formamide?
The canonical SMILES for N-[2-(4-phenylbutoxy)phenyl]formamide is O=CNc1ccccc1OCCCCc1ccccc1.
What is the InChIKey of N-[2-(4-phenylbutoxy)phenyl]formamide?
The InChIKey is FMOQZEKJYKVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-14-18-16-11-4-5-12-17(16)20-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,18,19).
What are the key properties of N-[2-(4-phenylbutoxy)phenyl]formamide?
N-[2-(4-phenylbutoxy)phenyl]formamide has a molecular weight of 269.34 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylbutoxy)phenyl]formamide is sourced from PubChem (CID 150186708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).