N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide

C19H24N2O2 — CID 60525006

IUPACN-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-11-16(2)13-17(12-15)21(3)14-19(22)20-9-10-23-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22)
InChIKeyHCFSOYWJVOMGPN-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.93
Rot. Bonds7

About N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide

N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide (PubChem CID 60525006) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
PubChem CID60525006
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-11-16(2)13-17(12-15)21(3)14-19(22)20-9-10-23-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22)
InChIKeyHCFSOYWJVOMGPN-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147
2-[5-hydroxypentyl(methyl)amino]-N-(2-phenoxyethyl)acetamide
CID 107204277
N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
CID 52689431
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 60505360
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 111336190
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-(N,3,5-trimethylanilino)acetohydrazide
CID 63583846
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211247
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide (CID 60525006) is N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide is Cc1cc(C)cc(N(C)CC(=O)NCCOc2ccccc2)c1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide?
The InChIKey is HCFSOYWJVOMGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-11-16(2)13-17(12-15)21(3)14-19(22)20-9-10-23-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22).
What are the key properties of N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide?
N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide has a molecular weight of 312.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide is sourced from PubChem (CID 60525006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).