3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

C15H24N2O3 — CID 82071517

IUPAC3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCC(C)Oc1ccc(CCC(=O)N(C)CCO)cc1N
InChIInChI=1S/C15H24N2O3/c1-11(2)20-14-6-4-12(10-13(14)16)5-7-15(19)17(3)8-9-18/h4,6,10-11,18H,5,7-9,16H2,1-3H3
InChIKeySZYPFTHLAGRAGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.44
Rot. Bonds7

About 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 82071517) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID82071517
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCC(C)Oc1ccc(CCC(=O)N(C)CCO)cc1N
InChIInChI=1S/C15H24N2O3/c1-11(2)20-14-6-4-12(10-13(14)16)5-7-15(19)17(3)8-9-18/h4,6,10-11,18H,5,7-9,16H2,1-3H3
InChIKeySZYPFTHLAGRAGO-UHFFFAOYSA-N
XLogP1.44
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071511
3-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886057
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 82153464
3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
CID 82152706
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 94759107
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (CID 82071517) is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide is CC(C)Oc1ccc(CCC(=O)N(C)CCO)cc1N.
What is the InChIKey of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is SZYPFTHLAGRAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)20-14-6-4-12(10-13(14)16)5-7-15(19)17(3)8-9-18/h4,6,10-11,18H,5,7-9,16H2,1-3H3.
What are the key properties of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 82071517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).