N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide

C19H30N2O2 — CID 119640603

IUPACN-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCOC1c1ccc(C)cc1
InChIInChI=1S/C19H30N2O2/c1-4-19(20,5-2)13-21-18(22)16-7-6-12-23-17(16)15-10-8-14(3)9-11-15/h8-11,16-17H,4-7,12-13,20H2,1-3H3,(H,21,22)
InChIKeyIZLCBSMYFSGILE-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.10
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide

N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide (PubChem CID 119640603) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide
PubChem CID119640603
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCOC1c1ccc(C)cc1
InChIInChI=1S/C19H30N2O2/c1-4-19(20,5-2)13-21-18(22)16-7-6-12-23-17(16)15-10-8-14(3)9-11-15/h8-11,16-17H,4-7,12-13,20H2,1-3H3,(H,21,22)
InChIKeyIZLCBSMYFSGILE-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
(2R,3R)-2-(4-methylphenyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]oxane-3-carboxamide
CID 100832650
N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 119430513
4-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]butanoic acid
CID 119171119
N-[2-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide;hydrochloride
CID 120830094
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 120508179
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 119445798
2-(4-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 120812341
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
(2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565011
(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565010
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide (CID 119640603) is N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide is CCC(N)(CC)CNC(=O)C1CCCOC1c1ccc(C)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide?
The InChIKey is IZLCBSMYFSGILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-19(20,5-2)13-21-18(22)16-7-6-12-23-17(16)15-10-8-14(3)9-11-15/h8-11,16-17H,4-7,12-13,20H2,1-3H3,(H,21,22).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide?
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 119640603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).