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

C24H28N4O5 — CID 43069799

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OCc1cccnc1
InChIInChI=1S/C24H28N4O5/c1-27-23(31)28(22(30)24(27)10-4-3-5-11-24)15-21(29)26-18-8-9-19(32-2)20(13-18)33-16-17-7-6-12-25-14-17/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,26,29)
InChIKeyPYXHEYUSXNUOTD-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.20
Rot. Bonds7

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

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 43069799) 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-(1-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-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID43069799
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OCc1cccnc1
InChIInChI=1S/C24H28N4O5/c1-27-23(31)28(22(30)24(27)10-4-3-5-11-24)15-21(29)26-18-8-9-19(32-2)20(13-18)33-16-17-7-6-12-25-14-17/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,26,29)
InChIKeyPYXHEYUSXNUOTD-UHFFFAOYSA-N
XLogP3.20
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55744262
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
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 39500283
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 26685423
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
N-[(3-methoxyphenyl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24608696
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-(1-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-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 43069799) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-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-(1-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-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is PYXHEYUSXNUOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-27-23(31)28(22(30)24(27)10-4-3-5-11-24)15-21(29)26-18-8-9-19(32-2)20(13-18)33-16-17-7-6-12-25-14-17/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 452.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 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-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 43069799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).