2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide

C16H26N2O3 — CID 43279407

IUPAC2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCNC(C)c1ccc(OCC(=O)N(C)C(C)C)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-11(2)18(5)16(19)10-21-14-8-7-13(12(3)17-4)9-15(14)20-6/h7-9,11-12,17H,10H2,1-6H3
InChIKeyPGYBKEMLNCULHR-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.22
Rot. Bonds7

About 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide

2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 43279407) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID43279407
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCNC(C)c1ccc(OCC(=O)N(C)C(C)C)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-11(2)18(5)16(19)10-21-14-8-7-13(12(3)17-4)9-15(14)20-6/h7-9,11-12,17H,10H2,1-6H3
InChIKeyPGYBKEMLNCULHR-UHFFFAOYSA-N
XLogP2.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 43279473
N-cyclopropyl-2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279426
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114491704
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide (CID 43279407) is 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide is CNC(C)c1ccc(OCC(=O)N(C)C(C)C)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is PGYBKEMLNCULHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)18(5)16(19)10-21-14-8-7-13(12(3)17-4)9-15(14)20-6/h7-9,11-12,17H,10H2,1-6H3.
What are the key properties of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 294.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43279407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).