N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide

C23H27N3O4 — CID 90635403

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(N2CCN(CC(=O)NCC3Cc4ccccc4CO3)C2=O)cc1
InChIInChI=1S/C23H27N3O4/c1-2-29-20-9-7-19(8-10-20)26-12-11-25(23(26)28)15-22(27)24-14-21-13-17-5-3-4-6-18(17)16-30-21/h3-10,21H,2,11-16H2,1H3,(H,24,27)
InChIKeySRUQVZWGURZBFT-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.59
Rot. Bonds7

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 90635403) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
PubChem CID90635403
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(N2CCN(CC(=O)NCC3Cc4ccccc4CO3)C2=O)cc1
InChIInChI=1S/C23H27N3O4/c1-2-29-20-9-7-19(8-10-20)26-12-11-25(23(26)28)15-22(27)24-14-21-13-17-5-3-4-6-18(17)16-30-21/h3-10,21H,2,11-16H2,1H3,(H,24,27)
InChIKeySRUQVZWGURZBFT-UHFFFAOYSA-N
XLogP2.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750967
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 90635244
2-(4-chlorophenoxy)-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)acetamide
CID 90635233
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
4-butoxy-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)benzamide
CID 90635191
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-ethoxyphenyl)-N-methylacetamide
CID 90635698
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-4-oxo-4-phenylbutanamide
CID 90635114
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
CID 90635248
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3,5-dimethoxybenzamide
CID 100750944
N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
CID 110367217

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide (CID 90635403) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide is CCOc1ccc(N2CCN(CC(=O)NCC3Cc4ccccc4CO3)C2=O)cc1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is SRUQVZWGURZBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-2-29-20-9-7-19(8-10-20)26-12-11-25(23(26)28)15-22(27)24-14-21-13-17-5-3-4-6-18(17)16-30-21/h3-10,21H,2,11-16H2,1H3,(H,24,27).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 90635403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).