N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide

C19H21NO3 — CID 51092161

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1OC
InChIInChI=1S/C19H21NO3/c1-20(16-10-13-6-4-5-7-14(13)11-16)19(21)15-8-9-17(22-2)18(12-15)23-3/h4-9,12,16H,10-11H2,1-3H3
InChIKeyOCOGZOAQSOUEJV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.94
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide

N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide (PubChem CID 51092161) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
PubChem CID51092161
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1OC
InChIInChI=1S/C19H21NO3/c1-20(16-10-13-6-4-5-7-14(13)11-16)19(21)15-8-9-17(22-2)18(12-15)23-3/h4-9,12,16H,10-11H2,1-3H3
InChIKeyOCOGZOAQSOUEJV-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91785242
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
CID 55774982
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
CID 65371454
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
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N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide (CID 51092161) is N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is OCOGZOAQSOUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20(16-10-13-6-4-5-7-14(13)11-16)19(21)15-8-9-17(22-2)18(12-15)23-3/h4-9,12,16H,10-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide?
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 51092161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).