2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide

C20H22N2O4 — CID 18097226

IUPAC2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OC(C)C(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C20H22N2O4/c1-12(26-18-11-16(25-2)8-9-17(18)19(21)23)20(24)22-15-7-6-13-4-3-5-14(13)10-15/h6-12H,3-5H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyPMPDQXIHZNSAEJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.69
Rot. Bonds6

About 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide

2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide (PubChem CID 18097226) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
PubChem CID18097226
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OC(C)C(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C20H22N2O4/c1-12(26-18-11-16(25-2)8-9-17(18)19(21)23)20(24)22-15-7-6-13-4-3-5-14(13)10-15/h6-12H,3-5H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyPMPDQXIHZNSAEJ-UHFFFAOYSA-N
XLogP2.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 8733934
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8730672
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 18166101
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 51926733
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732506
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]oxypropanamide
CID 95767292
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354
methyl 2-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzoate
CID 7705042

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide (CID 18097226) is 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide is COc1ccc(C(N)=O)c(OC(C)C(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The InChIKey is PMPDQXIHZNSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(26-18-11-16(25-2)8-9-17(18)19(21)23)20(24)22-15-7-6-13-4-3-5-14(13)10-15/h6-12H,3-5H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide is sourced from PubChem (CID 18097226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).