N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide

C20H22N2O4 — CID 136522417

IUPACN-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-26-16-7-4-6-15(11-16)19(24)21-12-18(23)22-13-20(25)10-9-14-5-2-3-8-17(14)20/h2-8,11,25H,9-10,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyNTGFRMRSUIFKLR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide

N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 136522417) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID136522417
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-26-16-7-4-6-15(11-16)19(24)21-12-18(23)22-13-20(25)10-9-14-5-2-3-8-17(14)20/h2-8,11,25H,9-10,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyNTGFRMRSUIFKLR-UHFFFAOYSA-N
XLogP1.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide
CID 110294566
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzenesulfonamide
CID 90499095
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97060754
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide (CID 136522417) is N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)NCC2(O)CCc3ccccc32)c1.
What is the InChIKey of N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is NTGFRMRSUIFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-16-7-4-6-15(11-16)19(24)21-12-18(23)22-13-20(25)10-9-14-5-2-3-8-17(14)20/h2-8,11,25H,9-10,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide?
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 136522417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).