N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide

C22H27NO4 — CID 110636033

IUPACN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H27NO4/c1-25-18-9-4-15(5-10-18)6-11-22(24)23-14-17-8-7-16-12-20(26-2)21(27-3)13-19(16)17/h4-5,9-10,12-13,17H,6-8,11,14H2,1-3H3,(H,23,24)
InChIKeyZUKQPMYYVLPZDD-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.49
Rot. Bonds8

About N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110636033) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110636033
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H27NO4/c1-25-18-9-4-15(5-10-18)6-11-22(24)23-14-17-8-7-16-12-20(26-2)21(27-3)13-19(16)17/h4-5,9-10,12-13,17H,6-8,11,14H2,1-3H3,(H,23,24)
InChIKeyZUKQPMYYVLPZDD-UHFFFAOYSA-N
XLogP3.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110648172
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
CID 10187865
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110407587
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide
CID 110636025
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955725
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22742567
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide (CID 110636033) is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2CCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZUKQPMYYVLPZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-25-18-9-4-15(5-10-18)6-11-22(24)23-14-17-8-7-16-12-20(26-2)21(27-3)13-19(16)17/h4-5,9-10,12-13,17H,6-8,11,14H2,1-3H3,(H,23,24).
What are the key properties of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 369.46 g/mol, XLogP of 3.49, 8 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)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110636033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).