N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide

C25H24N4O4 — CID 11495984

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
SMILESCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCc5ccccc54)cc3)cc2n(C)c1=O
InChIInChI=1S/C25H24N4O4/c1-28-21-13-20(27-23(21)24(31)29(2)25(28)32)16-7-10-17(11-8-16)33-14-22(30)26-19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,13,19,27H,9,12,14H2,1-2H3,(H,26,30)
InChIKeyAVEYDODSONUKCQ-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.41
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide (PubChem CID 11495984) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
PubChem CID11495984
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
SMILESCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCc5ccccc54)cc3)cc2n(C)c1=O
InChIInChI=1S/C25H24N4O4/c1-28-21-13-20(27-23(21)24(31)29(2)25(28)32)16-7-10-17(11-8-16)33-14-22(30)26-19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,13,19,27H,9,12,14H2,1-2H3,(H,26,30)
InChIKeyAVEYDODSONUKCQ-UHFFFAOYSA-N
XLogP2.41
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide with MolForge

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Related Compounds

Mrs-1706
CID 5139184
N-(2-hydroxyethyl)-2-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide
CID 44583036
3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11212981
6-(4-Methoxy-phenyl)-3-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44399581
N-(4-bromophenyl)-2-(4-(7-hydroxy-2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide
CID 44587956
4-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]-N-methylbenzamide
CID 9806649
6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9827315
4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-benzamide
CID 9827467
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-phenylacetamide
CID 10204847
N-benzyl-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11495410
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(4-methoxyphenyl)propanamide
CID 11497055
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]acetamide
CID 11498113

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide (CID 11495984) is N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide is Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCc5ccccc54)cc3)cc2n(C)c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
The InChIKey is AVEYDODSONUKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-28-21-13-20(27-23(21)24(31)29(2)25(28)32)16-7-10-17(11-8-16)33-14-22(30)26-19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,13,19,27H,9,12,14H2,1-2H3,(H,26,30).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide has a molecular weight of 444.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide is sourced from PubChem (CID 11495984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).