N-(2-ethoxyphenyl)formamide;molecular hydrogen

C9H13NO2 — CID 142473191

IUPACN-(2-ethoxyphenyl)formamide;molecular hydrogen
SMILESCCOc1ccccc1NC=O.[H][H]
InChIInChI=1S/C9H11NO2.H2/c1-2-12-9-6-4-3-5-8(9)10-7-11;/h3-7H,2H2,1H3,(H,10,11);1H
InChIKeyXVIJLEFDRCGAON-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.90
Rot. Bonds4

About N-(2-ethoxyphenyl)formamide;molecular hydrogen

N-(2-ethoxyphenyl)formamide;molecular hydrogen (PubChem CID 142473191) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)formamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)formamide;molecular hydrogen
PubChem CID142473191
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(2-ethoxyphenyl)formamide;molecular hydrogen
SMILESCCOc1ccccc1NC=O.[H][H]
InChIInChI=1S/C9H11NO2.H2/c1-2-12-9-6-4-3-5-8(9)10-7-11;/h3-7H,2H2,1H3,(H,10,11);1H
InChIKeyXVIJLEFDRCGAON-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.90
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-[2-(2,2-dimethylpropoxy)phenyl]formamide
CID 143321861
N-(2-ethoxyphenyl)methanethioamide
CID 88853700
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CID 143368119
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide
CID 144684417
N-(2-ethyltellanylphenyl)formamide
CID 13214788
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide
CID 168653643
(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346530
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)formamide;molecular hydrogen?
The IUPAC name of N-(2-ethoxyphenyl)formamide;molecular hydrogen (CID 142473191) is N-(2-ethoxyphenyl)formamide;molecular hydrogen.
What is the SMILES notation for N-(2-ethoxyphenyl)formamide;molecular hydrogen?
The canonical SMILES for N-(2-ethoxyphenyl)formamide;molecular hydrogen is CCOc1ccccc1NC=O.[H][H].
What is the InChIKey of N-(2-ethoxyphenyl)formamide;molecular hydrogen?
The InChIKey is XVIJLEFDRCGAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.H2/c1-2-12-9-6-4-3-5-8(9)10-7-11;/h3-7H,2H2,1H3,(H,10,11);1H.
What are the key properties of N-(2-ethoxyphenyl)formamide;molecular hydrogen?
N-(2-ethoxyphenyl)formamide;molecular hydrogen has a molecular weight of 167.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)formamide;molecular hydrogen is sourced from PubChem (CID 142473191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).