3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide

C17H28N2O3 — CID 82070927

IUPAC3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1cc(N)c(O)c(OCC)c1
InChIInChI=1S/C17H28N2O3/c1-4-9-19(10-5-2)16(20)8-7-13-11-14(18)17(21)15(12-13)22-6-3/h11-12,21H,4-10,18H2,1-3H3
InChIKeyBHMIOIHOYODJGT-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.95
Rot. Bonds9

About 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide

3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide (PubChem CID 82070927) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
PubChem CID82070927
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1cc(N)c(O)c(OCC)c1
InChIInChI=1S/C17H28N2O3/c1-4-9-19(10-5-2)16(20)8-7-13-11-14(18)17(21)15(12-13)22-6-3/h11-12,21H,4-10,18H2,1-3H3
InChIKeyBHMIOIHOYODJGT-UHFFFAOYSA-N
XLogP2.95
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide
CID 82071255
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070952
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 82071028
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
CID 82027779
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
2-amino-4-(3-chloropropyl)-6-methoxyphenol
CID 94776729
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
CID 143526710

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide (CID 82070927) is 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCc1cc(N)c(O)c(OCC)c1.
What is the InChIKey of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide?
The InChIKey is BHMIOIHOYODJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-9-19(10-5-2)16(20)8-7-13-11-14(18)17(21)15(12-13)22-6-3/h11-12,21H,4-10,18H2,1-3H3.
What are the key properties of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide?
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide has a molecular weight of 308.42 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide is sourced from PubChem (CID 82070927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).