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

C20H26N2O2 — CID 109025396

IUPACN-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-15-8-9-18(14-16(15)2)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)
InChIKeyDGNIYFZCAUZLLF-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.47
Rot. Bonds8

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

N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025396) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
PubChem CID109025396
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-15-8-9-18(14-16(15)2)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)
InChIKeyDGNIYFZCAUZLLF-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-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
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
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
CID 55121493
N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708058
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (CID 109025396) is N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is COc1ccccc1CCNCCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The InChIKey is DGNIYFZCAUZLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-8-9-18(14-16(15)2)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-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
N-(3,4-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-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).