N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C20H30N2O3 — CID 71990563

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)N2CCC3(CCOCC3)C2)cc1
InChIInChI=1S/C20H30N2O3/c1-15(2)25-18-6-4-17(5-7-18)16(3)21-19(23)22-11-8-20(14-22)9-12-24-13-10-20/h4-7,15-16H,8-14H2,1-3H3,(H,21,23)
InChIKeyQAWWBKRQWZNYDW-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 71990563) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID71990563
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)N2CCC3(CCOCC3)C2)cc1
InChIInChI=1S/C20H30N2O3/c1-15(2)25-18-6-4-17(5-7-18)16(3)21-19(23)22-11-8-20(14-22)9-12-24-13-10-20/h4-7,15-16H,8-14H2,1-3H3,(H,21,23)
InChIKeyQAWWBKRQWZNYDW-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 122560161
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 71868570
N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-2-azaspiro[4.6]undecane-2-carboxamide
CID 126427038
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128694848
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-phenylethylamino)pyrimidin-5-yl]methanone
CID 170310115
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 126447223
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 71990563) is N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CC(C)Oc1ccc(C(C)NC(=O)N2CCC3(CCOCC3)C2)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is QAWWBKRQWZNYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)25-18-6-4-17(5-7-18)16(3)21-19(23)22-11-8-20(14-22)9-12-24-13-10-20/h4-7,15-16H,8-14H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71990563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).