3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide

C20H24N2O2 — CID 82153394

IUPAC3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide
SMILESC=CCOc1ccc(CCC(=O)N(CC)c2ccccc2)cc1N
InChIInChI=1S/C20H24N2O2/c1-3-14-24-19-12-10-16(15-18(19)21)11-13-20(23)22(4-2)17-8-6-5-7-9-17/h3,5-10,12,15H,1,4,11,13-14,21H2,2H3
InChIKeyCRDQZYKPCSLYMK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds8

About 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide

3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide (PubChem CID 82153394) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide
PubChem CID82153394
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide
SMILESC=CCOc1ccc(CCC(=O)N(CC)c2ccccc2)cc1N
InChIInChI=1S/C20H24N2O2/c1-3-14-24-19-12-10-16(15-18(19)21)11-13-20(23)22(4-2)17-8-6-5-7-9-17/h3,5-10,12,15H,1,4,11,13-14,21H2,2H3
InChIKeyCRDQZYKPCSLYMK-UHFFFAOYSA-N
XLogP3.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
CID 39131020
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
4-[3-(N-ethylanilino)-3-oxopropyl]benzoic acid
CID 82071678
3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
CID 82153398
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-(3-amino-4-prop-2-enoxyphenyl)-1-piperidin-1-ylpropan-1-one
CID 82153393
3-(3-amino-4-prop-2-enoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82153381
3-(4-methoxyphenyl)-N-phenyl-N-prop-2-enylpropanamide
CID 52564357
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
3-(3-amino-4-prop-2-enoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 82153379
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide (CID 82153394) is 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide is C=CCOc1ccc(CCC(=O)N(CC)c2ccccc2)cc1N.
What is the InChIKey of 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide?
The InChIKey is CRDQZYKPCSLYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-14-24-19-12-10-16(15-18(19)21)11-13-20(23)22(4-2)17-8-6-5-7-9-17/h3,5-10,12,15H,1,4,11,13-14,21H2,2H3.
What are the key properties of 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide?
3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 82153394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).