N-[4-(propoxymethyl)phenyl]formamide

C11H15NO2 — CID 155742417

IUPACN-[4-(propoxymethyl)phenyl]formamide
SMILESCCCOCc1ccc(NC=O)cc1
InChIInChI=1S/C11H15NO2/c1-2-7-14-8-10-3-5-11(6-4-10)12-9-13/h3-6,9H,2,7-8H2,1H3,(H,12,13)
InChIKeyROFJUHMAKNQGOR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.18
Rot. Bonds6

About N-[4-(propoxymethyl)phenyl]formamide

N-[4-(propoxymethyl)phenyl]formamide (PubChem CID 155742417) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[4-(propoxymethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(propoxymethyl)phenyl]formamide
PubChem CID155742417
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[4-(propoxymethyl)phenyl]formamide
SMILESCCCOCc1ccc(NC=O)cc1
InChIInChI=1S/C11H15NO2/c1-2-7-14-8-10-3-5-11(6-4-10)12-9-13/h3-6,9H,2,7-8H2,1H3,(H,12,13)
InChIKeyROFJUHMAKNQGOR-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.18
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

2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide
CID 155742416
N-[4-(butan-2-yloxymethyl)phenyl]formamide
CID 123995408
1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene
CID 118041316
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[4-(2-propoxyethoxymethyl)phenyl]acetohydrazide
CID 105351528
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
CID 159078637
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-(propoxymethyl)-4-propylaniline
CID 162035789
2-(4-formamidophenyl)ethaneperoxoic acid
CID 58762024
phenyl-[4-(propoxymethyl)phenyl]sulfanium
CID 23528181

Frequently Asked Questions

What is the IUPAC name of N-[4-(propoxymethyl)phenyl]formamide?
The IUPAC name of N-[4-(propoxymethyl)phenyl]formamide (CID 155742417) is N-[4-(propoxymethyl)phenyl]formamide.
What is the SMILES notation for N-[4-(propoxymethyl)phenyl]formamide?
The canonical SMILES for N-[4-(propoxymethyl)phenyl]formamide is CCCOCc1ccc(NC=O)cc1.
What is the InChIKey of N-[4-(propoxymethyl)phenyl]formamide?
The InChIKey is ROFJUHMAKNQGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-7-14-8-10-3-5-11(6-4-10)12-9-13/h3-6,9H,2,7-8H2,1H3,(H,12,13).
What are the key properties of N-[4-(propoxymethyl)phenyl]formamide?
N-[4-(propoxymethyl)phenyl]formamide has a molecular weight of 193.25 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propoxymethyl)phenyl]formamide is sourced from PubChem (CID 155742417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).