N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride

C30H41ClN4O8 — CID 159966651

IUPACN-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride
SMILESCNOC.COc1cccc(C(=O)NC2(C(=O)N(C)OC)CC2)c1C.COc1cccc(C2=NC3(CC3)C(=O)O2)c1C.Cl
InChIInChI=1S/C15H20N2O4.C13H13NO3.C2H7NO.ClH/c1-10-11(6-5-7-12(10)20-3)13(18)16-15(8-9-15)14(19)17(2)21-4;1-8-9(4-3-5-10(8)16-2)11-14-13(6-7-13)12(15)17-11;1-3-4-2;/h5-7H,8-9H2,1-4H3,(H,16,18);3-5H,6-7H2,1-2H3;3H,1-2H3;1H
InChIKeyHIGSXXCIFIYZHO-UHFFFAOYSA-N
MW621.13 g/mol
LogP3.31
Rot. Bonds8

About N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride

N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride (PubChem CID 159966651) has the molecular formula C30H41ClN4O8 and a molecular weight of 621.13 g/mol. Its IUPAC name is N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride.

Molecular Properties

Compound NameN-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride
PubChem CID159966651
Molecular FormulaC30H41ClN4O8
Molecular Weight621.13 g/mol
Exact Mass620.26
IUPAC NameN-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride
SMILESCNOC.COc1cccc(C(=O)NC2(C(=O)N(C)OC)CC2)c1C.COc1cccc(C2=NC3(CC3)C(=O)O2)c1C.Cl
InChIInChI=1S/C15H20N2O4.C13H13NO3.C2H7NO.ClH/c1-10-11(6-5-7-12(10)20-3)13(18)16-15(8-9-15)14(19)17(2)21-4;1-8-9(4-3-5-10(8)16-2)11-14-13(6-7-13)12(15)17-11;1-3-4-2;/h5-7H,8-9H2,1-4H3,(H,16,18);3-5H,6-7H2,1-2H3;3H,1-2H3;1H
InChIKeyHIGSXXCIFIYZHO-UHFFFAOYSA-N
XLogP3.31
TPSA137.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.13
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride with MolForge

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Related Compounds

3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide
CID 122525023
N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
CID 10066548
3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
tert-butyl 4-(3,5-dimethylbenzoyl)-4-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 59713394
3-methoxy-2-methylbenzohydrazide
CID 45091273
3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide
CID 59016635
2-amino-2,3-dimethylbutanoic acid;3-methoxy-2-methylbenzoyl chloride;2-(3-methoxy-2-methylphenyl)-4-methyl-4-propan-2-yl-1,3-oxazol-5-one
CID 158594642
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 122525050
methyl 3-methoxy-2-methylbenzoate
CID 12527049
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795

Frequently Asked Questions

What is the IUPAC name of N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride?
The IUPAC name of N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride (CID 159966651) is N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride.
What is the SMILES notation for N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride?
The canonical SMILES for N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride is CNOC.COc1cccc(C(=O)NC2(C(=O)N(C)OC)CC2)c1C.COc1cccc(C2=NC3(CC3)C(=O)O2)c1C.Cl.
What is the InChIKey of N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride?
The InChIKey is HIGSXXCIFIYZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.C13H13NO3.C2H7NO.ClH/c1-10-11(6-5-7-12(10)20-3)13(18)16-15(8-9-15)14(19)17(2)21-4;1-8-9(4-3-5-10(8)16-2)11-14-13(6-7-13)12(15)17-11;1-3-4-2;/h5-7H,8-9H2,1-4H3,(H,16,18);3-5H,6-7H2,1-2H3;3H,1-2H3;1H.
What are the key properties of N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride?
N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride has a molecular weight of 621.13 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride is sourced from PubChem (CID 159966651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).