2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide

C13H18N2O3 — CID 88991365

IUPAC2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide
SMILESCCNCCOc1ccc(CC(=O)NC=O)cc1
InChIInChI=1S/C13H18N2O3/c1-2-14-7-8-18-12-5-3-11(4-6-12)9-13(17)15-10-16/h3-6,10,14H,2,7-9H2,1H3,(H,15,16,17)
InChIKeyFOIZEIBXNORFLN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.49
Rot. Bonds8

About 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide

2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide (PubChem CID 88991365) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide.

Molecular Properties

Compound Name2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide
PubChem CID88991365
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide
SMILESCCNCCOc1ccc(CC(=O)NC=O)cc1
InChIInChI=1S/C13H18N2O3/c1-2-14-7-8-18-12-5-3-11(4-6-12)9-13(17)15-10-16/h3-6,10,14H,2,7-9H2,1H3,(H,15,16,17)
InChIKeyFOIZEIBXNORFLN-UHFFFAOYSA-N
XLogP0.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
CID 167241747
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
2-(4-phenylphenyl)-N-[2-(4-propylphenoxy)ethyl]acetamide
CID 100517253
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
2-[2-(4-pentylphenoxy)ethylamino]acetamide
CID 58097092

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide?
The IUPAC name of 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide (CID 88991365) is 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide.
What is the SMILES notation for 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide?
The canonical SMILES for 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide is CCNCCOc1ccc(CC(=O)NC=O)cc1.
What is the InChIKey of 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide?
The InChIKey is FOIZEIBXNORFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-14-7-8-18-12-5-3-11(4-6-12)9-13(17)15-10-16/h3-6,10,14H,2,7-9H2,1H3,(H,15,16,17).
What are the key properties of 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide?
2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide is sourced from PubChem (CID 88991365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).