2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide

C14H22N2O — CID 112722399

IUPAC2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCCc1ccccc1C
InChIInChI=1S/C14H22N2O/c1-3-9-16-14(17)11-15-10-8-13-7-5-4-6-12(13)2/h4-7,15H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyDGLRIWGLZLNYLY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide

2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide (PubChem CID 112722399) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
PubChem CID112722399
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCCc1ccccc1C
InChIInChI=1S/C14H22N2O/c1-3-9-16-14(17)11-15-10-8-13-7-5-4-6-12(13)2/h4-7,15H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyDGLRIWGLZLNYLY-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
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

2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
N-(cyanomethyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 79749194
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 112722389
2-(cyclopropylmethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide;hydrochloride
CID 119688191
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505
2-(2-methylphenyl)-N-[2-(propylamino)ethyl]acetamide
CID 62658241
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8791084
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
CID 114332282
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide (CID 112722399) is 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide is CCCNC(=O)CNCCc1ccccc1C.
What is the InChIKey of 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide?
The InChIKey is DGLRIWGLZLNYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-9-16-14(17)11-15-10-8-13-7-5-4-6-12(13)2/h4-7,15H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide?
2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 112722399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).