2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone

C17H19NO4 — CID 139805914

IUPAC2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(OC)(OCN)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4/c1-20-15-10-8-13(9-11-15)16(19)17(21-2,22-12-18)14-6-4-3-5-7-14/h3-11H,12,18H2,1-2H3
InChIKeyKAODWMKLQGVWAV-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.31
Rot. Bonds7

About 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone

2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone (PubChem CID 139805914) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone
PubChem CID139805914
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(OC)(OCN)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4/c1-20-15-10-8-13(9-11-15)16(19)17(21-2,22-12-18)14-6-4-3-5-7-14/h3-11H,12,18H2,1-2H3
InChIKeyKAODWMKLQGVWAV-UHFFFAOYSA-N
XLogP2.31
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[1,1-dimethoxy-2-(4-methoxyphenyl)-2-oxoethyl]phenyl]-diphenylsulfanium
CID 153448773
1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone
CID 174419072
2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
CID 161260552
methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate
CID 174505893
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
2,2-bis(2-methoxyethoxy)-1,2-diphenylethanone
CID 14762562
2-[4-[2-(4-chlorophenyl)-2,2-dimethoxyacetyl]phenoxy]acetic acid
CID 59816693
2,2-dimethoxy-1,2-diphenylethanone;ethyl 4-(dimethylamino)benzoate
CID 160513933
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-(3-tert-butylphenyl)-2,2-dimethoxy-2-phenylethanone
CID 15697899
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone?
The IUPAC name of 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone (CID 139805914) is 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone?
The canonical SMILES for 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone is COc1ccc(C(=O)C(OC)(OCN)c2ccccc2)cc1.
What is the InChIKey of 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone?
The InChIKey is KAODWMKLQGVWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-20-15-10-8-13(9-11-15)16(19)17(21-2,22-12-18)14-6-4-3-5-7-14/h3-11H,12,18H2,1-2H3.
What are the key properties of 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone?
2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone has a molecular weight of 301.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 139805914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).