1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone

C21H28N2O4 — CID 110830006

IUPAC1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
SMILESCOc1ccc(C(CNCC(=O)c2ccc(OC)c(OC)c2)N(C)C)cc1
InChIInChI=1S/C21H28N2O4/c1-23(2)18(15-6-9-17(25-3)10-7-15)13-22-14-19(24)16-8-11-20(26-4)21(12-16)27-5/h6-12,18,22H,13-14H2,1-5H3
InChIKeyJPBUNVDEGVVLMQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.79
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone

1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone (PubChem CID 110830006) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
PubChem CID110830006
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
SMILESCOc1ccc(C(CNCC(=O)c2ccc(OC)c(OC)c2)N(C)C)cc1
InChIInChI=1S/C21H28N2O4/c1-23(2)18(15-6-9-17(25-3)10-7-15)13-22-14-19(24)16-8-11-20(26-4)21(12-16)27-5/h6-12,18,22H,13-14H2,1-5H3
InChIKeyJPBUNVDEGVVLMQ-UHFFFAOYSA-N
XLogP2.79
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 82258238
1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone
CID 110827671
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
CID 110826095
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone (CID 110830006) is 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone is COc1ccc(C(CNCC(=O)c2ccc(OC)c(OC)c2)N(C)C)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
The InChIKey is JPBUNVDEGVVLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-23(2)18(15-6-9-17(25-3)10-7-15)13-22-14-19(24)16-8-11-20(26-4)21(12-16)27-5/h6-12,18,22H,13-14H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone has a molecular weight of 372.47 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone is sourced from PubChem (CID 110830006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).