N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide

C20H23N3O3 — CID 45213080

IUPACN-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
SMILESCc1c(CC(=O)NCC(N)=O)c2c(n1Cc1ccccc1)CCCC2=O
InChIInChI=1S/C20H23N3O3/c1-13-15(10-19(26)22-11-18(21)25)20-16(8-5-9-17(20)24)23(13)12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyXRWPIDGUJYSZSN-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.51
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide

N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide (PubChem CID 45213080) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
PubChem CID45213080
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
SMILESCc1c(CC(=O)NCC(N)=O)c2c(n1Cc1ccccc1)CCCC2=O
InChIInChI=1S/C20H23N3O3/c1-13-15(10-19(26)22-11-18(21)25)20-16(8-5-9-17(20)24)23(13)12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyXRWPIDGUJYSZSN-UHFFFAOYSA-N
XLogP1.51
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide (CID 45213080) is N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide is Cc1c(CC(=O)NCC(N)=O)c2c(n1Cc1ccccc1)CCCC2=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide?
The InChIKey is XRWPIDGUJYSZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-15(10-19(26)22-11-18(21)25)20-16(8-5-9-17(20)24)23(13)12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide?
N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide is sourced from PubChem (CID 45213080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).