N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide

C12H16N2O5 — CID 7858942

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESCOC[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O5/c1-9(7-18-2)13-12(15)8-19-11-6-4-3-5-10(11)14(16)17/h3-6,9H,7-8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyLVSRXOQLJJJJHF-VIFPVBQESA-N
MW268.27 g/mol
LogP1.12
Rot. Bonds7

About N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide

N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide (PubChem CID 7858942) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
PubChem CID7858942
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESCOC[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O5/c1-9(7-18-2)13-12(15)8-19-11-6-4-3-5-10(11)14(16)17/h3-6,9H,7-8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyLVSRXOQLJJJJHF-VIFPVBQESA-N
XLogP1.12
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
2-[4-(aminomethyl)-2-nitrophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61489699
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
4-methoxy-2-[[2-(2-nitrophenoxy)acetyl]amino]butanoic acid
CID 120702454
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-nitrophenoxy)acetamide
CID 7819293
2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 8700559
2-(2-nitrophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700556
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 119036775

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide (CID 7858942) is N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide is COC[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is LVSRXOQLJJJJHF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O5/c1-9(7-18-2)13-12(15)8-19-11-6-4-3-5-10(11)14(16)17/h3-6,9H,7-8H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 268.27 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7858942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).