2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone

C23H23NO4 — CID 158021036

IUPAC2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H23NO4/c1-26-21-14-17(15-22(27-2)23(21)28-3)20(25)13-16-9-11-19(12-10-16)24-18-7-5-4-6-8-18/h4-12,14-15,24H,13H2,1-3H3
InChIKeyLPHGHKVGCPSBNK-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.88
Rot. Bonds8

About 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone

2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 158021036) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID158021036
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H23NO4/c1-26-21-14-17(15-22(27-2)23(21)28-3)20(25)13-16-9-11-19(12-10-16)24-18-7-5-4-6-8-18/h4-12,14-15,24H,13H2,1-3H3
InChIKeyLPHGHKVGCPSBNK-UHFFFAOYSA-N
XLogP4.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
2-(1-phenylpropan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanone;hydrobromide
CID 138398701
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7914938
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
2-[4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenyl]acetic acid
CID 66775075
1-(3,4-dimethoxy-5-phenylmethoxyphenyl)-3-(2-hydroxy-3,4-dimethoxyphenyl)propane-1,3-dione
CID 24750378

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone (CID 158021036) is 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(=O)Cc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is LPHGHKVGCPSBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-26-21-14-17(15-22(27-2)23(21)28-3)20(25)13-16-9-11-19(12-10-16)24-18-7-5-4-6-8-18/h4-12,14-15,24H,13H2,1-3H3.
What are the key properties of 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone?
2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 377.44 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 158021036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).