N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C17H20N4O3 — CID 131945266

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C17H20N4O3/c1-11-13(16(23)20-17(24)19-11)10-15(22)18-7-9-21-8-6-12-4-2-3-5-14(12)21/h2-5H,6-10H2,1H3,(H,18,22)(H2,19,20,23,24)
InChIKeyARYNDZJIBFNVQL-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.09
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 131945266) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID131945266
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C17H20N4O3/c1-11-13(16(23)20-17(24)19-11)10-15(22)18-7-9-21-8-6-12-4-2-3-5-14(12)21/h2-5H,6-10H2,1H3,(H,18,22)(H2,19,20,23,24)
InChIKeyARYNDZJIBFNVQL-UHFFFAOYSA-N
XLogP0.09
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353127
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
(3S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97191213
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 131909946
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 73052052
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 131945266) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is ARYNDZJIBFNVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-13(16(23)20-17(24)19-11)10-15(22)18-7-9-21-8-6-12-4-2-3-5-14(12)21/h2-5H,6-10H2,1H3,(H,18,22)(H2,19,20,23,24).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 131945266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).