2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide

C19H37NO3 — CID 166979517

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide
SMILESCC(C)C(C(=O)[C@@H](NC(=O)COC(C)(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C19H37NO3/c1-12(2)15(18(5,6)7)17(22)16(13(3)4)20-14(21)11-23-19(8,9)10/h12-13,15-16H,11H2,1-10H3,(H,20,21)/t15?,16-/m0/s1
InChIKeyVVQBXZGTPJRLDB-LYKKTTPLSA-N
MW327.51 g/mol
LogP3.83
Rot. Bonds7

About 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide

2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide (PubChem CID 166979517) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide
PubChem CID166979517
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide
SMILESCC(C)C(C(=O)[C@@H](NC(=O)COC(C)(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C19H37NO3/c1-12(2)15(18(5,6)7)17(22)16(13(3)4)20-14(21)11-23-19(8,9)10/h12-13,15-16H,11H2,1-10H3,(H,20,21)/t15?,16-/m0/s1
InChIKeyVVQBXZGTPJRLDB-LYKKTTPLSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide with MolForge

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Related Compounds

(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
CID 103940348
tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 103940412
4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 112601946
(2R)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 103940335
methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 112603567
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
N-(2-methyl-1-phenylpropyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605048
N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 112604570
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940560
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide (CID 166979517) is 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide is CC(C)C(C(=O)[C@@H](NC(=O)COC(C)(C)C)C(C)C)C(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide?
The InChIKey is VVQBXZGTPJRLDB-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H37NO3/c1-12(2)15(18(5,6)7)17(22)16(13(3)4)20-14(21)11-23-19(8,9)10/h12-13,15-16H,11H2,1-10H3,(H,20,21)/t15?,16-/m0/s1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide has a molecular weight of 327.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide is sourced from PubChem (CID 166979517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).