N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C20H30N2O3 — CID 128694848

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-18(24-3)17(13-15)16(2)21-19(23)22-10-4-7-20(14-22)8-11-25-12-9-20/h5-6,13,16H,4,7-12,14H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyRDIUOTKAKRJQFJ-MRXNPFEDSA-N
MW346.47 g/mol
LogP3.67
Rot. Bonds3

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 128694848) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID128694848
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-18(24-3)17(13-15)16(2)21-19(23)22-10-4-7-20(14-22)8-11-25-12-9-20/h5-6,13,16H,4,7-12,14H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyRDIUOTKAKRJQFJ-MRXNPFEDSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 122560161
4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
CID 55922461
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352
(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359
4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
CID 42935380
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990563
2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 111331644
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
1-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 40896538
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 128694848) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCCC2(CCOCC2)C1.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is RDIUOTKAKRJQFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-5-6-18(24-3)17(13-15)16(2)21-19(23)22-10-4-7-20(14-22)8-11-25-12-9-20/h5-6,13,16H,4,7-12,14H2,1-3H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 128694848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).