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

C16H26N2O3 — CID 82000377

IUPAC2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
SMILESCCCNC(C)c1ccc(OC)cc1OCC(=O)N(C)C
InChIInChI=1S/C16H26N2O3/c1-6-9-17-12(2)14-8-7-13(20-5)10-15(14)21-11-16(19)18(3)4/h7-8,10,12,17H,6,9,11H2,1-5H3
InChIKeyVHLAMSZBRIYYOG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.22
Rot. Bonds8

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

2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 82000377) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
PubChem CID82000377
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
SMILESCCCNC(C)c1ccc(OC)cc1OCC(=O)N(C)C
InChIInChI=1S/C16H26N2O3/c1-6-9-17-12(2)14-8-7-13(20-5)10-15(14)21-11-16(19)18(3)4/h7-8,10,12,17H,6,9,11H2,1-5H3
InChIKeyVHLAMSZBRIYYOG-UHFFFAOYSA-N
XLogP2.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
CID 82000949
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
3-[[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 97336153
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
CID 172906988
2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82000947
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide (CID 82000377) is 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide is CCCNC(C)c1ccc(OC)cc1OCC(=O)N(C)C.
What is the InChIKey of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is VHLAMSZBRIYYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-9-17-12(2)14-8-7-13(20-5)10-15(14)21-11-16(19)18(3)4/h7-8,10,12,17H,6,9,11H2,1-5H3.
What are the key properties of 2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 82000377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).