(3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone

C15H21NO3 — CID 47074547

IUPAC(3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2C(C)CC2(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10-9-15(2,3)16(10)14(17)11-6-12(18-4)8-13(7-11)19-5/h6-8,10H,9H2,1-5H3
InChIKeyRCHJMACZJBUTRK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.72
Rot. Bonds3

About (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone

(3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone (PubChem CID 47074547) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone
PubChem CID47074547
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2C(C)CC2(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10-9-15(2,3)16(10)14(17)11-6-12(18-4)8-13(7-11)19-5/h6-8,10H,9H2,1-5H3
InChIKeyRCHJMACZJBUTRK-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 112507350
(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone
CID 123524792
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 1344914
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975160
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
CID 116573137
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110393968
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone (CID 47074547) is (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone is COc1cc(OC)cc(C(=O)N2C(C)CC2(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone?
The InChIKey is RCHJMACZJBUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-9-15(2,3)16(10)14(17)11-6-12(18-4)8-13(7-11)19-5/h6-8,10H,9H2,1-5H3.
What are the key properties of (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone?
(3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(2,2,4-trimethylazetidin-1-yl)methanone is sourced from PubChem (CID 47074547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).