3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide

C19H24N2O3 — CID 54795478

IUPAC3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
SMILESCCOCCOc1cccc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H24N2O3/c1-2-23-12-13-24-17-8-5-7-16(14-17)21-19(22)11-10-15-6-3-4-9-18(15)20/h3-9,14H,2,10-13,20H2,1H3,(H,21,22)
InChIKeyRWZSVSRYHQSCOY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.26
Rot. Bonds9

About 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide

3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide (PubChem CID 54795478) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
PubChem CID54795478
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
SMILESCCOCCOc1cccc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H24N2O3/c1-2-23-12-13-24-17-8-5-7-16(14-17)21-19(22)11-10-15-6-3-4-9-18(15)20/h3-9,14H,2,10-13,20H2,1H3,(H,21,22)
InChIKeyRWZSVSRYHQSCOY-UHFFFAOYSA-N
XLogP3.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
3-(2-aminophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]propanamide;hydrochloride
CID 120610173
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 120610429
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072
methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide (CID 54795478) is 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide is CCOCCOc1cccc(NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide?
The InChIKey is RWZSVSRYHQSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-23-12-13-24-17-8-5-7-16(14-17)21-19(22)11-10-15-6-3-4-9-18(15)20/h3-9,14H,2,10-13,20H2,1H3,(H,21,22).
What are the key properties of 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide?
3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 54795478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).