N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C18H22N2O4 — CID 47064713

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O4/c21-16(8-10-20-17(22)6-7-18(20)23)19-9-11-24-15-5-4-13-2-1-3-14(13)12-15/h4-5,12H,1-3,6-11H2,(H,19,21)
InChIKeyDEQPZMHKBNZVMP-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.21
Rot. Bonds7

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 47064713) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID47064713
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O4/c21-16(8-10-20-17(22)6-7-18(20)23)19-9-11-24-15-5-4-13-2-1-3-14(13)12-15/h4-5,12H,1-3,6-11H2,(H,19,21)
InChIKeyDEQPZMHKBNZVMP-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 47064707
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55953414
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 47064713) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)NCCOc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is DEQPZMHKBNZVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(8-10-20-17(22)6-7-18(20)23)19-9-11-24-15-5-4-13-2-1-3-14(13)12-15/h4-5,12H,1-3,6-11H2,(H,19,21).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 47064713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).