N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C20H30N2O4 — CID 122560161

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOc1ccc(C(C)NC(=O)N2CCC3(CCOCC3)CC2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-15(16-4-5-17(24-2)18(14-16)25-3)21-19(23)22-10-6-20(7-11-22)8-12-26-13-9-20/h4-5,14-15H,6-13H2,1-3H3,(H,21,23)
InChIKeyUQMQBFOBWOQYCS-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 122560161) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID122560161
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOc1ccc(C(C)NC(=O)N2CCC3(CCOCC3)CC2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-15(16-4-5-17(24-2)18(14-16)25-3)21-19(23)22-10-6-20(7-11-22)8-12-26-13-9-20/h4-5,14-15H,6-13H2,1-3H3,(H,21,23)
InChIKeyUQMQBFOBWOQYCS-UHFFFAOYSA-N
XLogP3.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71990563
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N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128694848
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913137
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 92677739
4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
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N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
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3,3-bis(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 86966903
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 122560161) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COc1ccc(C(C)NC(=O)N2CCC3(CCOCC3)CC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is UQMQBFOBWOQYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-15(16-4-5-17(24-2)18(14-16)25-3)21-19(23)22-10-6-20(7-11-22)8-12-26-13-9-20/h4-5,14-15H,6-13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 122560161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).