2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide

C16H30N2O3 — CID 56790354

IUPAC2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
SMILESCCC(C)C(=O)NCC1(NC(=O)C(C)CC)CCOCC1
InChIInChI=1S/C16H30N2O3/c1-5-12(3)14(19)17-11-16(7-9-21-10-8-16)18-15(20)13(4)6-2/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKQBPSMSYPYDPDP-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.86
Rot. Bonds7

About 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide

2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide (PubChem CID 56790354) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
PubChem CID56790354
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
SMILESCCC(C)C(=O)NCC1(NC(=O)C(C)CC)CCOCC1
InChIInChI=1S/C16H30N2O3/c1-5-12(3)14(19)17-11-16(7-9-21-10-8-16)18-15(20)13(4)6-2/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKQBPSMSYPYDPDP-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide?
The IUPAC name of 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide (CID 56790354) is 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide?
The canonical SMILES for 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide is CCC(C)C(=O)NCC1(NC(=O)C(C)CC)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide?
The InChIKey is KQBPSMSYPYDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-12(3)14(19)17-11-16(7-9-21-10-8-16)18-15(20)13(4)6-2/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide?
2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide has a molecular weight of 298.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide is sourced from PubChem (CID 56790354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).