N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide

C14H16N2O5 — CID 8808925

IUPACN-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1C=O)C1CC1
InChIInChI=1S/C14H16N2O5/c1-9(10-2-3-10)15-14(18)8-21-13-5-4-12(16(19)20)6-11(13)7-17/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyOBNGMURQHHBAKU-VIFPVBQESA-N
MW292.29 g/mol
LogP1.70
Rot. Bonds7

About N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide

N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide (PubChem CID 8808925) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
PubChem CID8808925
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1C=O)C1CC1
InChIInChI=1S/C14H16N2O5/c1-9(10-2-3-10)15-14(18)8-21-13-5-4-12(16(19)20)6-11(13)7-17/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyOBNGMURQHHBAKU-VIFPVBQESA-N
XLogP1.70
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640967
2-(2-formyl-4-nitrophenoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8951884
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 11925852
N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 9201186
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8582252
2-(2-hydroxypropoxy)-5-nitrobenzaldehyde
CID 60884121
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
CID 27972767
2-(3-cyclopentyl-2-hydroxypropoxy)-5-nitrobenzaldehyde
CID 103158645
methyl 3-(2-formyl-4-nitrophenoxy)propanoate
CID 63950739
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide (CID 8808925) is N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide is C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1C=O)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide?
The InChIKey is OBNGMURQHHBAKU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(10-2-3-10)15-14(18)8-21-13-5-4-12(16(19)20)6-11(13)7-17/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide?
N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide has a molecular weight of 292.29 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 8808925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).