N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide

C16H24N2O3 — CID 113055809

IUPACN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCc1ccccc1OC)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-4-16(20)17-10-12-18(13(2)19)11-9-14-7-5-6-8-15(14)21-3/h5-8H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyIURFHHSBIRFNGH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.61
Rot. Bonds8

About N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide (PubChem CID 113055809) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
PubChem CID113055809
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCc1ccccc1OC)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-4-16(20)17-10-12-18(13(2)19)11-9-14-7-5-6-8-15(14)21-3/h5-8H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyIURFHHSBIRFNGH-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
CID 113055827
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113055841
N-[2-(dimethylsulfamoylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113055867
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
CID 113067650
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide?
The IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide (CID 113055809) is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide?
The canonical SMILES for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide is CCC(=O)NCCN(CCc1ccccc1OC)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide?
The InChIKey is IURFHHSBIRFNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-16(20)17-10-12-18(13(2)19)11-9-14-7-5-6-8-15(14)21-3/h5-8H,4,9-12H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide?
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide is sourced from PubChem (CID 113055809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).