2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide

C15H24N2O3 — CID 82000648

IUPAC2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
SMILESCCCNC(C)c1ccc(OC)cc1OCC(=O)NC
InChIInChI=1S/C15H24N2O3/c1-5-8-17-11(2)13-7-6-12(19-4)9-14(13)20-10-15(18)16-3/h6-7,9,11,17H,5,8,10H2,1-4H3,(H,16,18)
InChIKeyQOQYYUMNXDJDDF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.88
Rot. Bonds8

About 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide

2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide (PubChem CID 82000648) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
PubChem CID82000648
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
SMILESCCCNC(C)c1ccc(OC)cc1OCC(=O)NC
InChIInChI=1S/C15H24N2O3/c1-5-8-17-11(2)13-7-6-12(19-4)9-14(13)20-10-15(18)16-3/h6-7,9,11,17H,5,8,10H2,1-4H3,(H,16,18)
InChIKeyQOQYYUMNXDJDDF-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
CID 82000949
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640138
N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82000947
3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
CID 82850774
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
CID 63066740
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide (CID 82000648) is 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide is CCCNC(C)c1ccc(OC)cc1OCC(=O)NC.
What is the InChIKey of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide?
The InChIKey is QOQYYUMNXDJDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-8-17-11(2)13-7-6-12(19-4)9-14(13)20-10-15(18)16-3/h6-7,9,11,17H,5,8,10H2,1-4H3,(H,16,18).
What are the key properties of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide?
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide has a molecular weight of 280.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 82000648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).