benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate

C20H20N2O4 — CID 30581650

IUPACbenzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
SMILESCC(=O)N1CCc2cc(C(=O)NCC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C20H20N2O4/c1-14(23)22-10-9-16-11-17(7-8-18(16)22)20(25)21-12-19(24)26-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,25)
InChIKeyVRVDOPUEWJDTIP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.07
Rot. Bonds5

About benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate

benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate (PubChem CID 30581650) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
PubChem CID30581650
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namebenzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
SMILESCC(=O)N1CCc2cc(C(=O)NCC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C20H20N2O4/c1-14(23)22-10-9-16-11-17(7-8-18(16)22)20(25)21-12-19(24)26-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,25)
InChIKeyVRVDOPUEWJDTIP-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
benzyl 2-benzamidoacetate;ethane
CID 142836612
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42922170
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate (CID 30581650) is benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate is CC(=O)N1CCc2cc(C(=O)NCC(=O)OCc3ccccc3)ccc21.
What is the InChIKey of benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate?
The InChIKey is VRVDOPUEWJDTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14(23)22-10-9-16-11-17(7-8-18(16)22)20(25)21-12-19(24)26-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,25).
What are the key properties of benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate?
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate has a molecular weight of 352.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate is sourced from PubChem (CID 30581650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).