N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide

C18H22N2O2 — CID 119549328

IUPACN-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-22-17-4-2-3-15(13-17)7-10-18(21)20-12-11-14-5-8-16(19)9-6-14/h2-6,8-9,13H,7,10-12,19H2,1H3,(H,20,21)
InChIKeyXVIRPNHESXDXJO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide

N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 119549328) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
PubChem CID119549328
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-22-17-4-2-3-15(13-17)7-10-18(21)20-12-11-14-5-8-16(19)9-6-14/h2-6,8-9,13H,7,10-12,19H2,1H3,(H,20,21)
InChIKeyXVIRPNHESXDXJO-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide (CID 119549328) is N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCCc2ccc(N)cc2)c1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is XVIRPNHESXDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-17-4-2-3-15(13-17)7-10-18(21)20-12-11-14-5-8-16(19)9-6-14/h2-6,8-9,13H,7,10-12,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 119549328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).