(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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Related Compounds

(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 59641758
(2S,4S,5S)-2-hydroxy-4-[2-hydroxypropanoyl(methyl)amino]-2,5-dimethyl-3-oxoheptanoic acid
CID 140968568
2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91734791
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-2-hydroxyacetyl]-methylamino]-4-methylpentanamide
CID 90429913
2-(dimethylamino)-4-methyl-N-propan-2-ylpentanamide
CID 170685859
(2R)-2-[tert-butyl(methyl)amino]-4,4-dimethyl-1-sulfanylpentan-3-one
CID 176616481
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
tert-butyl N-(1-hydroxy-5-methyl-2-oxohexan-3-yl)-N-methylcarbamate
CID 23567010
tert-butyl N-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 141416319
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide
CID 122467702
(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
CID 59668998

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).