N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide

C21H25NO4 — CID 110399723

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H25NO4/c1-24-18-7-5-4-6-14(18)9-11-21(23)22-17-10-8-15-12-19(25-2)20(26-3)13-16(15)17/h4-7,12-13,17H,8-11H2,1-3H3,(H,22,23)
InChIKeyWQMCMTUNQYFJJH-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.45
Rot. Bonds7

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

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 110399723) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID110399723
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H25NO4/c1-24-18-7-5-4-6-14(18)9-11-21(23)22-17-10-8-15-12-19(25-2)20(26-3)13-16(15)17/h4-7,12-13,17H,8-11H2,1-3H3,(H,22,23)
InChIKeyWQMCMTUNQYFJJH-UHFFFAOYSA-N
XLogP3.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
CID 125429552
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 125429260
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 125432396
3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 128963249
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 128963304
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
CID 125432031
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137192277
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)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 128962603

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide (CID 110399723) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is WQMCMTUNQYFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-18-7-5-4-6-14(18)9-11-21(23)22-17-10-8-15-12-19(25-2)20(26-3)13-16(15)17/h4-7,12-13,17H,8-11H2,1-3H3,(H,22,23).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 355.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 110399723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).