N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide

C22H28N2O5 — CID 142214641

IUPACN-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide
SMILESCCOCOC[C@H](C[C@H](C)C(N)=O)NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H28N2O5/c1-3-27-15-28-14-18(13-16(2)21(23)25)24-22(26)17-9-11-20(12-10-17)29-19-7-5-4-6-8-19/h4-12,16,18H,3,13-15H2,1-2H3,(H2,23,25)(H,24,26)/t16-,18-/m0/s1
InChIKeyJAZUKLGFTDPPIR-WMZOPIPTSA-N
MW400.48 g/mol
LogP3.10
Rot. Bonds12

About N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide

N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide (PubChem CID 142214641) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide
PubChem CID142214641
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide
SMILESCCOCOC[C@H](C[C@H](C)C(N)=O)NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H28N2O5/c1-3-27-15-28-14-18(13-16(2)21(23)25)24-22(26)17-9-11-20(12-10-17)29-19-7-5-4-6-8-19/h4-12,16,18H,3,13-15H2,1-2H3,(H2,23,25)(H,24,26)/t16-,18-/m0/s1
InChIKeyJAZUKLGFTDPPIR-WMZOPIPTSA-N
XLogP3.10
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(ethoxymethoxy)-6-hydroxy-4-methyl-5-oxohexan-2-yl]-4-phenoxybenzamide
CID 157080911
N-[(2S,4S)-1-(ethoxymethoxy)-5-(2-methoxypropan-2-yloxyamino)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide
CID 86593853
N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-(4-phenoxyphenyl)benzamide
CID 22093770
4-bromo-N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]benzamide
CID 22093737
N-[(2S,4S)-5-amino-4-benzyl-1-(ethoxymethoxy)-5-oxopentan-2-yl]-4-(hydroxymethyl)benzamide
CID 70280392
N-[(2S,4S)-4-(hydroxycarbamoyl)-1-(methoxymethoxy)hexan-2-yl]-4-phenoxybenzamide
CID 22093716
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
CID 141018684
N-[5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-(3-hydroxyphenoxy)benzamide
CID 18468383
N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-4-nitrobenzamide
CID 22093743
N-[4-benzyl-1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]benzamide
CID 18468557
4-bromo-N-[(2S,4R)-1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxo-4-(phenylmethoxymethyl)pentan-2-yl]benzamide
CID 22093572
N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-3-hydroxy-4-nitrobenzamide
CID 22093732

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide?
The IUPAC name of N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide (CID 142214641) is N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide is CCOCOC[C@H](C[C@H](C)C(N)=O)NC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide?
The InChIKey is JAZUKLGFTDPPIR-WMZOPIPTSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-3-27-15-28-14-18(13-16(2)21(23)25)24-22(26)17-9-11-20(12-10-17)29-19-7-5-4-6-8-19/h4-12,16,18H,3,13-15H2,1-2H3,(H2,23,25)(H,24,26)/t16-,18-/m0/s1.
What are the key properties of N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide?
N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 3.10, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide is sourced from PubChem (CID 142214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).