N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide

C14H26N2O3 — CID 122151854

IUPACN-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide
SMILESCCN(C)C(=O)[C@@H](NC(=O)C1CCCOC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-5-16(4)14(18)12(10(2)3)15-13(17)11-7-6-8-19-9-11/h10-12H,5-9H2,1-4H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyUYPPTZRIFXCYFZ-KIYNQFGBSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds5

About N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide

N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide (PubChem CID 122151854) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide
PubChem CID122151854
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide
SMILESCCN(C)C(=O)[C@@H](NC(=O)C1CCCOC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-5-16(4)14(18)12(10(2)3)15-13(17)11-7-6-8-19-9-11/h10-12H,5-9H2,1-4H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyUYPPTZRIFXCYFZ-KIYNQFGBSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide with MolForge

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Related Compounds

3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62758810
(2S)-3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62759763
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
N-(1-aminopentan-2-yl)oxane-3-carboxamide
CID 65191424
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136005
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide?
The IUPAC name of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide (CID 122151854) is N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide is CCN(C)C(=O)[C@@H](NC(=O)C1CCCOC1)C(C)C.
What is the InChIKey of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide?
The InChIKey is UYPPTZRIFXCYFZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-16(4)14(18)12(10(2)3)15-13(17)11-7-6-8-19-9-11/h10-12H,5-9H2,1-4H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide?
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]oxane-3-carboxamide is sourced from PubChem (CID 122151854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).