N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide

C19H21NO3 — CID 110399665

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)c1ccc(C)cc1)CC2
InChIInChI=1S/C19H21NO3/c1-12-4-6-13(7-5-12)19(21)20-16-9-8-14-10-17(22-2)18(23-3)11-15(14)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,20,21)
InChIKeyNLGDCMQKTSBUCF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.43
Rot. Bonds4

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide (PubChem CID 110399665) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
PubChem CID110399665
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)c1ccc(C)cc1)CC2
InChIInChI=1S/C19H21NO3/c1-12-4-6-13(7-5-12)19(21)20-16-9-8-14-10-17(22-2)18(23-3)11-15(14)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,20,21)
InChIKeyNLGDCMQKTSBUCF-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 122714977
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-methylindole-6-carboxamide
CID 128963064
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
2-hydroxy-6-methoxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581888
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125433018
1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110399695
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 125432821
4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167659779

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide (CID 110399665) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide is COc1cc2c(cc1OC)C(NC(=O)c1ccc(C)cc1)CC2.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide?
The InChIKey is NLGDCMQKTSBUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-4-6-13(7-5-12)19(21)20-16-9-8-14-10-17(22-2)18(23-3)11-15(14)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide is sourced from PubChem (CID 110399665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).