formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide

C21H33N3O5 — CID 154919774

IUPACformic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCN(C)C2(CCOCC2)C1.O=CO
InChIInChI=1S/C20H31N3O3.CH2O2/c1-22-11-12-23(16-20(22)8-13-26-14-9-20)15-19(24)21-10-7-17-5-3-4-6-18(17)25-2;2-1-3/h3-6H,7-16H2,1-2H3,(H,21,24);1H,(H,2,3)
InChIKeyCRZIDIRPRHTCNZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP0.85
Rot. Bonds6

About formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide

formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 154919774) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound Nameformic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide
PubChem CID154919774
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Nameformic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCN(C)C2(CCOCC2)C1.O=CO
InChIInChI=1S/C20H31N3O3.CH2O2/c1-22-11-12-23(16-20(22)8-13-26-14-9-20)15-19(24)21-10-7-17-5-3-4-6-18(17)25-2;2-1-3/h3-6H,7-16H2,1-2H3,(H,21,24);1H,(H,2,3)
InChIKeyCRZIDIRPRHTCNZ-UHFFFAOYSA-N
XLogP0.85
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxomorpholin-4-yl)acetamide
CID 100737212
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120774994
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109025259
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide (CID 154919774) is formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide is COc1ccccc1CCNC(=O)CN1CCN(C)C2(CCOCC2)C1.O=CO.
What is the InChIKey of formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is CRZIDIRPRHTCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.CH2O2/c1-22-11-12-23(16-20(22)8-13-26-14-9-20)15-19(24)21-10-7-17-5-3-4-6-18(17)25-2;2-1-3/h3-6H,7-16H2,1-2H3,(H,21,24);1H,(H,2,3).
What are the key properties of formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide?
formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 154919774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).