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

C20H26N2O2 — CID 109019924

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C20H26N2O2/c1-16-7-9-17(10-8-16)15-21-13-12-20(23)22-14-11-18-5-3-4-6-19(18)24-2/h3-10,21H,11-15H2,1-2H3,(H,22,23)
InChIKeyWNKGLUMECMCPCH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.84
Rot. Bonds9

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

N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109019924) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109019924
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C20H26N2O2/c1-16-7-9-17(10-8-16)15-21-13-12-20(23)22-14-11-18-5-3-4-6-19(18)24-2/h3-10,21H,11-15H2,1-2H3,(H,22,23)
InChIKeyWNKGLUMECMCPCH-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.84
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-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 47009079

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide (CID 109019924) is N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide is COc1ccccc1CCNC(=O)CCNCc1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is WNKGLUMECMCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-7-9-17(10-8-16)15-21-13-12-20(23)22-14-11-18-5-3-4-6-19(18)24-2/h3-10,21H,11-15H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).