2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide

C16H26N2O3 — CID 60907017

IUPAC2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)N(C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)18(4)16(19)10-21-14-7-6-13(8-12(3)17)9-15(14)20-5/h6-7,9,11-12H,8,10,17H2,1-5H3
InChIKeyGWXGEVHFMWTKHW-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.83
Rot. Bonds7

About 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 60907017) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID60907017
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)N(C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)18(4)16(19)10-21-14-7-6-13(8-12(3)17)9-15(14)20-5/h6-7,9,11-12H,8,10,17H2,1-5H3
InChIKeyGWXGEVHFMWTKHW-UHFFFAOYSA-N
XLogP1.83
TPSA64.79 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039492
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 43279407
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide (CID 60907017) is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide is COc1cc(CC(C)N)ccc1OCC(=O)N(C)C(C)C.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GWXGEVHFMWTKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)18(4)16(19)10-21-14-7-6-13(8-12(3)17)9-15(14)20-5/h6-7,9,11-12H,8,10,17H2,1-5H3.
What are the key properties of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 294.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60907017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).