N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide

C20H26N2O2 — CID 109025394

IUPACN-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H26N2O2/c1-15-8-9-18(16(2)14-15)22-20(23)11-13-21-12-10-17-6-4-5-7-19(17)24-3/h4-9,14,21H,10-13H2,1-3H3,(H,22,23)
InChIKeyVDZUWXMCSAGFGT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.47
Rot. Bonds8

About N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide

N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025394) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
PubChem CID109025394
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H26N2O2/c1-15-8-9-18(16(2)14-15)22-20(23)11-13-21-12-10-17-6-4-5-7-19(17)24-3/h4-9,14,21H,10-13H2,1-3H3,(H,22,23)
InChIKeyVDZUWXMCSAGFGT-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025476
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719
N-(2,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035079
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (CID 109025394) is N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is COc1ccccc1CCNCCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The InChIKey is VDZUWXMCSAGFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-8-9-18(16(2)14-15)22-20(23)11-13-21-12-10-17-6-4-5-7-19(17)24-3/h4-9,14,21H,10-13H2,1-3H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).