N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide

C22H30N2O2 — CID 133163191

IUPACN-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)C(C)Oc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H30N2O2/c1-6-24(7-2)20-11-9-19(10-12-20)15-23-22(25)18(5)26-21-13-8-16(3)14-17(21)4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyFSRSWPRHHBHEJA-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.23
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide

N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 133163191) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide
PubChem CID133163191
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)C(C)Oc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H30N2O2/c1-6-24(7-2)20-11-9-19(10-12-20)15-23-22(25)18(5)26-21-13-8-16(3)14-17(21)4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyFSRSWPRHHBHEJA-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99132247
(2S)-2-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100645893
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 51725187
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133211038
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
CID 18724643
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885640
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide (CID 133163191) is N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide is CCN(CC)c1ccc(CNC(=O)C(C)Oc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is FSRSWPRHHBHEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-6-24(7-2)20-11-9-19(10-12-20)15-23-22(25)18(5)26-21-13-8-16(3)14-17(21)4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide?
N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 354.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 133163191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).