2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one

C21H27NO5 — CID 156527695

IUPAC2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one
SMILESCOc1ccc(C(C)C(=O)c2c(OC)cc(N(C)C)cc2OC)cc1OC
InChIInChI=1S/C21H27NO5/c1-13(14-8-9-16(24-4)17(10-14)25-5)21(23)20-18(26-6)11-15(22(2)3)12-19(20)27-7/h8-13H,1-7H3
InChIKeyDPNRQGISJAUBIL-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.77
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one

2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one (PubChem CID 156527695) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one
PubChem CID156527695
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one
SMILESCOc1ccc(C(C)C(=O)c2c(OC)cc(N(C)C)cc2OC)cc1OC
InChIInChI=1S/C21H27NO5/c1-13(14-8-9-16(24-4)17(10-14)25-5)21(23)20-18(26-6)11-15(22(2)3)12-19(20)27-7/h8-13H,1-7H3
InChIKeyDPNRQGISJAUBIL-UHFFFAOYSA-N
XLogP3.77
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 86575310
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1,2-bis(3,4-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
CID 10981602
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide
CID 1325933
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one (CID 156527695) is 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one is COc1ccc(C(C)C(=O)c2c(OC)cc(N(C)C)cc2OC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one?
The InChIKey is DPNRQGISJAUBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-13(14-8-9-16(24-4)17(10-14)25-5)21(23)20-18(26-6)11-15(22(2)3)12-19(20)27-7/h8-13H,1-7H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one?
2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one has a molecular weight of 373.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one is sourced from PubChem (CID 156527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).