N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide

C21H26N2O3 — CID 26447428

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-20(24)18-9-11-19(12-10-18)26-15-21(25)22-13-16-5-7-17(8-6-16)14-23(2)3/h5-12H,4,13-15H2,1-3H3,(H,22,25)
InChIKeyBRPRQEMASXUHNC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.04
Rot. Bonds9

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 26447428) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID26447428
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-20(24)18-9-11-19(12-10-18)26-15-21(25)22-13-16-5-7-17(8-6-16)14-23(2)3/h5-12H,4,13-15H2,1-3H3,(H,22,25)
InChIKeyBRPRQEMASXUHNC-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7788103
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 9289828
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide (CID 26447428) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCc2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is BRPRQEMASXUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-20(24)18-9-11-19(12-10-18)26-15-21(25)22-13-16-5-7-17(8-6-16)14-23(2)3/h5-12H,4,13-15H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 26447428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).