N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide

C22H26N2O4 — CID 51273775

IUPACN-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC2CCc3ccccc32)cc1OCC
InChIInChI=1S/C22H26N2O4/c1-3-27-19-12-10-16(13-20(19)28-4-2)22(26)23-14-21(25)24-18-11-9-15-7-5-6-8-17(15)18/h5-8,10,12-13,18H,3-4,9,11,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLRDLOYMYXLRNQE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.02
Rot. Bonds8

About N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 51273775) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID51273775
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC2CCc3ccccc32)cc1OCC
InChIInChI=1S/C22H26N2O4/c1-3-27-19-12-10-16(13-20(19)28-4-2)22(26)23-14-21(25)24-18-11-9-15-7-5-6-8-17(15)18/h5-8,10,12-13,18H,3-4,9,11,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLRDLOYMYXLRNQE-UHFFFAOYSA-N
XLogP3.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 51273774
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592
N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
CID 129391590
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
CID 129391588
3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 8015031
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42904406
2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid
CID 120550756
4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 143041747
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide (CID 51273775) is N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NC2CCc3ccccc32)cc1OCC.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is LRDLOYMYXLRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-27-19-12-10-16(13-20(19)28-4-2)22(26)23-14-21(25)24-18-11-9-15-7-5-6-8-17(15)18/h5-8,10,12-13,18H,3-4,9,11,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 51273775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).