2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide

C16H26N2O3 — CID 60906218

IUPAC2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCCOc1cc(CCN)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C16H26N2O3/c1-5-20-15-10-13(8-9-17)6-7-14(15)21-12(4)16(19)18-11(2)3/h6-7,10-12H,5,8-9,17H2,1-4H3,(H,18,19)
InChIKeyCNPSMCFPDXHFOL-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.88
Rot. Bonds8

About 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide (PubChem CID 60906218) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
PubChem CID60906218
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCCOc1cc(CCN)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C16H26N2O3/c1-5-20-15-10-13(8-9-17)6-7-14(15)21-12(4)16(19)18-11(2)3/h6-7,10-12H,5,8-9,17H2,1-4H3,(H,18,19)
InChIKeyCNPSMCFPDXHFOL-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-[2-(3,4-diethoxyphenyl)ethyl]-1-propan-2-ylguanidine
CID 111026044
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
CID 60878105
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
CID 54984073
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43117629
2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
CID 63320637
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide (CID 60906218) is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide is CCOc1cc(CCN)ccc1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is CNPSMCFPDXHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-20-15-10-13(8-9-17)6-7-14(15)21-12(4)16(19)18-11(2)3/h6-7,10-12H,5,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide?
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 294.40 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-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60906218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).