N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide

C20H30N2O2 — CID 126812624

IUPACN-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N2CCC3(CCOCC3)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-3-17-4-6-18(7-5-17)21-19(23)16(2)22-12-8-20(9-13-22)10-14-24-15-11-20/h4-7,16H,3,8-15H2,1-2H3,(H,21,23)
InChIKeyUBRSLWNRPHAPGL-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.47
Rot. Bonds4

About N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide

N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide (PubChem CID 126812624) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide
PubChem CID126812624
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N2CCC3(CCOCC3)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-3-17-4-6-18(7-5-17)21-19(23)16(2)22-12-8-20(9-13-22)10-14-24-15-11-20/h4-7,16H,3,8-15H2,1-2H3,(H,21,23)
InChIKeyUBRSLWNRPHAPGL-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 51544326
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 17446120
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 8774372
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
N-(4-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 55511224
(2S)-N-(4-ethylphenyl)-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 95980806
(2S)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 9357159
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide (CID 126812624) is N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide is CCc1ccc(NC(=O)C(C)N2CCC3(CCOCC3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide?
The InChIKey is UBRSLWNRPHAPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-17-4-6-18(7-5-17)21-19(23)16(2)22-12-8-20(9-13-22)10-14-24-15-11-20/h4-7,16H,3,8-15H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide?
N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide has a molecular weight of 330.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide is sourced from PubChem (CID 126812624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).