N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide

C14H22N2O2 — CID 43770341

IUPACN-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
SMILESCCC(NCCNC(C)=O)c1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-13(16-10-9-15-11(2)17)12-7-5-6-8-14(12)18-3/h5-8,13,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyCDCLGUZXSWYXLM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds7

About N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide

N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide (PubChem CID 43770341) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
PubChem CID43770341
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
SMILESCCC(NCCNC(C)=O)c1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-13(16-10-9-15-11(2)17)12-7-5-6-8-14(12)18-3/h5-8,13,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyCDCLGUZXSWYXLM-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
2-[1-(2-methoxyphenyl)propylamino]-N-(2-methylpropyl)acetamide
CID 115900223
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide?
The IUPAC name of N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide (CID 43770341) is N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide is CCC(NCCNC(C)=O)c1ccccc1OC.
What is the InChIKey of N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide?
The InChIKey is CDCLGUZXSWYXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(16-10-9-15-11(2)17)12-7-5-6-8-14(12)18-3/h5-8,13,16H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide?
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide is sourced from PubChem (CID 43770341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).