N-(3-ethoxyphenyl)formamide

C9H11NO2 — CID 57236062

IUPACN-(3-ethoxyphenyl)formamide
SMILESCCOc1cccc(NC=O)c1
InChIInChI=1S/C9H11NO2/c1-2-12-9-5-3-4-8(6-9)10-7-11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyOLMIYRRLHYXYQS-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.65
Rot. Bonds4

About N-(3-ethoxyphenyl)formamide

N-(3-ethoxyphenyl)formamide (PubChem CID 57236062) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)formamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)formamide
PubChem CID57236062
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(3-ethoxyphenyl)formamide
SMILESCCOc1cccc(NC=O)c1
InChIInChI=1S/C9H11NO2/c1-2-12-9-5-3-4-8(6-9)10-7-11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyOLMIYRRLHYXYQS-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,2-difluoroethoxy)phenyl]formamide
CID 168653985
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
CID 168653348
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
N-tert-butyl-3-ethoxyaniline
CID 58745523
3-ethoxy-N-propylaniline
CID 54800867
methyl (Z)-2-cyano-3-(3-ethoxyanilino)prop-2-enoate
CID 19629055
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
3-(3-ethoxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 3931527
ethyl 2-cyano-3-(3-ethoxyanilino)prop-2-enoate
CID 47301621
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)formamide?
The IUPAC name of N-(3-ethoxyphenyl)formamide (CID 57236062) is N-(3-ethoxyphenyl)formamide.
What is the SMILES notation for N-(3-ethoxyphenyl)formamide?
The canonical SMILES for N-(3-ethoxyphenyl)formamide is CCOc1cccc(NC=O)c1.
What is the InChIKey of N-(3-ethoxyphenyl)formamide?
The InChIKey is OLMIYRRLHYXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9-5-3-4-8(6-9)10-7-11/h3-7H,2H2,1H3,(H,10,11).
What are the key properties of N-(3-ethoxyphenyl)formamide?
N-(3-ethoxyphenyl)formamide has a molecular weight of 165.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)formamide is sourced from PubChem (CID 57236062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).