N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide

C19H26N2O5 — CID 18583889

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C19H26N2O5/c1-13-6-7-16(24-2)15(10-13)21-18(23)17(22)20-11-14-12-25-19(26-14)8-4-3-5-9-19/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVZAGEXRTYNZYND-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.13
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 18583889) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID18583889
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C19H26N2O5/c1-13-6-7-16(24-2)15(10-13)21-18(23)17(22)20-11-14-12-25-19(26-14)8-4-3-5-9-19/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVZAGEXRTYNZYND-UHFFFAOYSA-N
XLogP2.13
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883
N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584032
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3670112
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 7423725
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423650
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 7645804
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 7646917
N'-[4-(dimethylamino)phenyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647171
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584028
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide (CID 18583889) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is VZAGEXRTYNZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13-6-7-16(24-2)15(10-13)21-18(23)17(22)20-11-14-12-25-19(26-14)8-4-3-5-9-19/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 362.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 18583889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).