N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C23H27N3O4 — CID 18139663

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc2cc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc2c1
InChIInChI=1S/C23H27N3O4/c1-25-22(29)26(21(28)23(25)10-4-3-5-11-23)15-20(27)24-14-16-6-7-18-13-19(30-2)9-8-17(18)12-16/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,24,27)
InChIKeyGETFEONXZIEERC-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.06
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 18139663) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID18139663
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc2cc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc2c1
InChIInChI=1S/C23H27N3O4/c1-25-22(29)26(21(28)23(25)10-4-3-5-11-23)15-20(27)24-14-16-6-7-18-13-19(30-2)9-8-17(18)12-16/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,24,27)
InChIKeyGETFEONXZIEERC-UHFFFAOYSA-N
XLogP3.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24608696
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31544067
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509040
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 41041475
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 86925590
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55743446
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745254
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714045
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24647115
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)acetamide
CID 55887302
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide
CID 51949997

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 18139663) is N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc2cc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is GETFEONXZIEERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-25-22(29)26(21(28)23(25)10-4-3-5-11-23)15-20(27)24-14-16-6-7-18-13-19(30-2)9-8-17(18)12-16/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 18139663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).