2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

C23H30N2O3 — CID 47020637

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)CN(C)C2CCc3ccccc32)cc1OC
InChIInChI=1S/C23H30N2O3/c1-24(14-13-17-9-12-21(27-3)22(15-17)28-4)23(26)16-25(2)20-11-10-18-7-5-6-8-19(18)20/h5-9,12,15,20H,10-11,13-14,16H2,1-4H3
InChIKeyPPJFJYKVYNZGIQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.32
Rot. Bonds8

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 47020637) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
PubChem CID47020637
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)CN(C)C2CCc3ccccc32)cc1OC
InChIInChI=1S/C23H30N2O3/c1-24(14-13-17-9-12-21(27-3)22(15-17)28-4)23(26)16-25(2)20-11-10-18-7-5-6-8-19(18)20/h5-9,12,15,20H,10-11,13-14,16H2,1-4H3
InChIKeyPPJFJYKVYNZGIQ-UHFFFAOYSA-N
XLogP3.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134043190
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 134043050
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 95121443
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 42695652
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 134053335
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 55534143

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (CID 47020637) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is COc1ccc(CCN(C)C(=O)CN(C)C2CCc3ccccc32)cc1OC.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is PPJFJYKVYNZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-24(14-13-17-9-12-21(27-3)22(15-17)28-4)23(26)16-25(2)20-11-10-18-7-5-6-8-19(18)20/h5-9,12,15,20H,10-11,13-14,16H2,1-4H3.
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 382.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 47020637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).