1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one

C16H24N2O3 — CID 82258535

IUPAC1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NCC2CCCO2)cc1N
InChIInChI=1S/C16H24N2O3/c1-3-20-15-7-6-12(9-14(15)17)16(19)11(2)18-10-13-5-4-8-21-13/h6-7,9,11,13,18H,3-5,8,10,17H2,1-2H3
InChIKeyRJOSTPGHXSERCA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds7

About 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one

1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one (PubChem CID 82258535) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
PubChem CID82258535
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NCC2CCCO2)cc1N
InChIInChI=1S/C16H24N2O3/c1-3-20-15-7-6-12(9-14(15)17)16(19)11(2)18-10-13-5-4-8-21-13/h6-7,9,11,13,18H,3-5,8,10,17H2,1-2H3
InChIKeyRJOSTPGHXSERCA-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82100237
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
2-(oxolan-2-yl)ethyl 3-amino-4-ethoxybenzoate
CID 65166568
1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one
CID 82258520
ethyl 3-amino-4-(oxan-2-ylmethoxy)benzoate
CID 61307033
2-(2-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049972
2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195
4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide
CID 133238905
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
4-ethoxy-3-(ethoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133149981
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one (CID 82258535) is 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one is CCOc1ccc(C(=O)C(C)NCC2CCCO2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
The InChIKey is RJOSTPGHXSERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-15-7-6-12(9-14(15)17)16(19)11(2)18-10-13-5-4-8-21-13/h6-7,9,11,13,18H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one is sourced from PubChem (CID 82258535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).