(2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide

C14H27NO3 — CID 58901328

IUPAC(2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide
SMILESCC(C)C[C@H](C(=O)C(C)(C)C)N(C)C(=O)[C@H](C)O
InChIInChI=1S/C14H27NO3/c1-9(2)8-11(12(17)14(4,5)6)15(7)13(18)10(3)16/h9-11,16H,8H2,1-7H3/t10-,11+/m0/s1
InChIKeyNLQYHHXELUOTAW-WDEREUQCSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide

(2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide (PubChem CID 58901328) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide
PubChem CID58901328
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide
SMILESCC(C)C[C@H](C(=O)C(C)(C)C)N(C)C(=O)[C@H](C)O
InChIInChI=1S/C14H27NO3/c1-9(2)8-11(12(17)14(4,5)6)15(7)13(18)10(3)16/h9-11,16H,8H2,1-7H3/t10-,11+/m0/s1
InChIKeyNLQYHHXELUOTAW-WDEREUQCSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide (CID 58901328) is (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide is CC(C)C[C@H](C(=O)C(C)(C)C)N(C)C(=O)[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide?
The InChIKey is NLQYHHXELUOTAW-WDEREUQCSA-N. The full InChI is InChI=1S/C14H27NO3/c1-9(2)8-11(12(17)14(4,5)6)15(7)13(18)10(3)16/h9-11,16H,8H2,1-7H3/t10-,11+/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide?
(2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide has a molecular weight of 257.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide is sourced from PubChem (CID 58901328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).