N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide

C15H22N2O3 — CID 120828053

IUPACN-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(C)NC)cc1
InChIInChI=1S/C15H22N2O3/c1-4-14(18)12-5-7-13(8-6-12)20-10-15(19)17-9-11(2)16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyNYRAICUOHYWZIX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds8

About N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide

N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 120828053) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID120828053
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(C)NC)cc1
InChIInChI=1S/C15H22N2O3/c1-4-14(18)12-5-7-13(8-6-12)20-10-15(19)17-9-11(2)16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyNYRAICUOHYWZIX-UHFFFAOYSA-N
XLogP1.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
[(1S)-1-(4-ethylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]-dimethylazanium
CID 8796515
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(4-propanoylphenoxy)acetamide
CID 18157786
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 8961201
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 9220223
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide (CID 120828053) is N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCC(C)NC)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is NYRAICUOHYWZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-14(18)12-5-7-13(8-6-12)20-10-15(19)17-9-11(2)16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide?
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 120828053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).