N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide

C20H26N2O — CID 109019985

IUPACN-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-4-18-7-5-6-16(3)20(18)22-19(23)12-13-21-14-17-10-8-15(2)9-11-17/h5-11,21H,4,12-14H2,1-3H3,(H,22,23)
InChIKeySNOLJUYMDSNVSD-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.98
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide

N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109019985) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109019985
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNCc1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-4-18-7-5-6-16(3)20(18)22-19(23)12-13-21-14-17-10-8-15(2)9-11-17/h5-11,21H,4,12-14H2,1-3H3,(H,22,23)
InChIKeySNOLJUYMDSNVSD-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109033314
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
CID 109021543
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide (CID 109019985) is N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide is CCc1cccc(C)c1NC(=O)CCNCc1ccc(C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is SNOLJUYMDSNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-18-7-5-6-16(3)20(18)22-19(23)12-13-21-14-17-10-8-15(2)9-11-17/h5-11,21H,4,12-14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide?
N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).