[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C22H23NO4 — CID 44580815

IUPAC[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(N(C)C)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H23NO4/c1-23(2)18-11-10-17(15-8-6-7-9-16(15)18)21(24)14-12-19(25-3)22(27-5)20(13-14)26-4/h6-13H,1-5H3
InChIKeyMTZPROWDJFNYRC-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.16
Rot. Bonds6

About [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44580815) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44580815
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(N(C)C)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H23NO4/c1-23(2)18-11-10-17(15-8-6-7-9-16(15)18)21(24)14-12-19(25-3)22(27-5)20(13-14)26-4/h6-13H,1-5H3
InChIKeyMTZPROWDJFNYRC-UHFFFAOYSA-N
XLogP4.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 66645277
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 44580815) is [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(N(C)C)c3ccccc23)cc(OC)c1OC.
What is the InChIKey of [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is MTZPROWDJFNYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-23(2)18-11-10-17(15-8-6-7-9-16(15)18)21(24)14-12-19(25-3)22(27-5)20(13-14)26-4/h6-13H,1-5H3.
What are the key properties of [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 365.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44580815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).