3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide

C21H25NO3 — CID 86934720

IUPAC3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)NC1c2ccccc2CC1C
InChIInChI=1S/C21H25NO3/c1-14-8-9-18(19(12-14)24-3)25-11-10-20(23)22-21-15(2)13-16-6-4-5-7-17(16)21/h4-9,12,15,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyKMDYQASQBCTWTJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.82
Rot. Bonds6

About 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide

3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 86934720) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID86934720
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)NC1c2ccccc2CC1C
InChIInChI=1S/C21H25NO3/c1-14-8-9-18(19(12-14)24-3)25-11-10-20(23)22-21-15(2)13-16-6-4-5-7-17(16)21/h4-9,12,15,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyKMDYQASQBCTWTJ-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
CID 110025348
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 95944480
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 86897699

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide (CID 86934720) is 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide is COc1cc(C)ccc1OCCC(=O)NC1c2ccccc2CC1C.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is KMDYQASQBCTWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14-8-9-18(19(12-14)24-3)25-11-10-20(23)22-21-15(2)13-16-6-4-5-7-17(16)21/h4-9,12,15,21H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide?
3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 86934720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).