methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide

C16H34N2O2 — CID 159918329

IUPACmethane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide
SMILESC.CC(C)N[C@@H](C)C(=O)N[C@H](C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2.CH4/c1-9(2)12(13(18)15(6,7)8)17-14(19)11(5)16-10(3)4;/h9-12,16H,1-8H3,(H,17,19);1H4/t11-,12-;/m0./s1
InChIKeyNYBOQDQCPXSYRR-FXMYHANSSA-N
MW286.46 g/mol
LogP2.77
Rot. Bonds6

About methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide

methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide (PubChem CID 159918329) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide.

Molecular Properties

Compound Namemethane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide
PubChem CID159918329
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Namemethane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide
SMILESC.CC(C)N[C@@H](C)C(=O)N[C@H](C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2.CH4/c1-9(2)12(13(18)15(6,7)8)17-14(19)11(5)16-10(3)4;/h9-12,16H,1-8H3,(H,17,19);1H4/t11-,12-;/m0./s1
InChIKeyNYBOQDQCPXSYRR-FXMYHANSSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide?
The IUPAC name of methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide (CID 159918329) is methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide.
What is the SMILES notation for methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide?
The canonical SMILES for methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide is C.CC(C)N[C@@H](C)C(=O)N[C@H](C(=O)C(C)(C)C)C(C)C.
What is the InChIKey of methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide?
The InChIKey is NYBOQDQCPXSYRR-FXMYHANSSA-N. The full InChI is InChI=1S/C15H30N2O2.CH4/c1-9(2)12(13(18)15(6,7)8)17-14(19)11(5)16-10(3)4;/h9-12,16H,1-8H3,(H,17,19);1H4/t11-,12-;/m0./s1.
What are the key properties of methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide?
methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide has a molecular weight of 286.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide is sourced from PubChem (CID 159918329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).