N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide

C19H24N2O2 — CID 109019679

IUPACN-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CCNCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-9-7-17(8-10-18)21-19(22)11-12-20-14-16-6-4-5-15(2)13-16/h4-10,13,20H,3,11-12,14H2,1-2H3,(H,21,22)
InChIKeyICUPUVSCQNHSPC-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.51
Rot. Bonds8

About N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide

N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019679) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019679
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CCNCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-9-7-17(8-10-18)21-19(22)11-12-20-14-16-6-4-5-15(2)13-16/h4-10,13,20H,3,11-12,14H2,1-2H3,(H,21,22)
InChIKeyICUPUVSCQNHSPC-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.51
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'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
CID 118176686
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
CID 109012855

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide (CID 109019679) is N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide is CCOc1ccc(NC(=O)CCNCc2cccc(C)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is ICUPUVSCQNHSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-18-9-7-17(8-10-18)21-19(22)11-12-20-14-16-6-4-5-15(2)13-16/h4-10,13,20H,3,11-12,14H2,1-2H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).