N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C24H28N4O5 — CID 55671880

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OCc1cccnc1
InChIInChI=1S/C24H28N4O5/c1-16-7-9-24(10-8-16)22(30)28(23(31)27-24)14-21(29)26-18-5-6-19(32-2)20(12-18)33-15-17-4-3-11-25-13-17/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyUGKWSLKIEISLDP-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.11
Rot. Bonds7

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55671880) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55671880
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OCc1cccnc1
InChIInChI=1S/C24H28N4O5/c1-16-7-9-24(10-8-16)22(30)28(23(31)27-24)14-21(29)26-18-5-6-19(32-2)20(12-18)33-15-17-4-3-11-25-13-17/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyUGKWSLKIEISLDP-UHFFFAOYSA-N
XLogP3.11
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43069799
N-(3,4-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622661
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-3-ylmethoxy)acetamide
CID 75361897
methyl 2-chloro-5-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 55556134
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348
(2S)-1-acetyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 51942540
2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 60521532

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55671880) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UGKWSLKIEISLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-16-7-9-24(10-8-16)22(30)28(23(31)27-24)14-21(29)26-18-5-6-19(32-2)20(12-18)33-15-17-4-3-11-25-13-17/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 452.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55671880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).