3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide

C19H24N2O2 — CID 109025650

IUPAC3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide
SMILESCOc1cccc(CCNCCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-21(17-8-4-3-5-9-17)19(22)12-14-20-13-11-16-7-6-10-18(15-16)23-2/h3-10,15,20H,11-14H2,1-2H3
InChIKeyVMMJQIWABKXXGY-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.88
Rot. Bonds8

About 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide

3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide (PubChem CID 109025650) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide
PubChem CID109025650
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide
SMILESCOc1cccc(CCNCCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-21(17-8-4-3-5-9-17)19(22)12-14-20-13-11-16-7-6-10-18(15-16)23-2/h3-10,15,20H,11-14H2,1-2H3
InChIKeyVMMJQIWABKXXGY-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
CID 109022468
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098650
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532
3-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 109019095
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
N-(2-ethoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025688
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109088154

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide (CID 109025650) is 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide is COc1cccc(CCNCCC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide?
The InChIKey is VMMJQIWABKXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(17-8-4-3-5-9-17)19(22)12-14-20-13-11-16-7-6-10-18(15-16)23-2/h3-10,15,20H,11-14H2,1-2H3.
What are the key properties of 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide?
3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 109025650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).