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

C14H16N2O5 — CID 8640967

IUPACN-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H16N2O5/c1-9(11-3-4-11)15-14(18)8-21-13-5-2-10(7-17)6-12(13)16(19)20/h2,5-7,9,11H,3-4,8H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyKFBSFGVUUIZNME-SECBINFHSA-N
MW292.29 g/mol
LogP1.70
Rot. Bonds7

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

N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide (PubChem CID 8640967) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
PubChem CID8640967
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H16N2O5/c1-9(11-3-4-11)15-14(18)8-21-13-5-2-10(7-17)6-12(13)16(19)20/h2,5-7,9,11H,3-4,8H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyKFBSFGVUUIZNME-SECBINFHSA-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

N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808925
N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 9201186
2-(4-formyl-2-nitrophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8951264
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640953
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8641009
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
2-(4-formyl-2-nitrophenoxy)acetic acid
CID 4763784
N-butyl-2-(4-formyl-2-nitrophenoxy)acetamide
CID 40691331
2-(4-formyl-2-nitrophenoxy)-N-hexylacetamide
CID 8641057
2-(4-formyl-2-nitrophenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8641036
(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 8558961

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide (CID 8640967) is N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide is C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The InChIKey is KFBSFGVUUIZNME-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(11-3-4-11)15-14(18)8-21-13-5-2-10(7-17)6-12(13)16(19)20/h2,5-7,9,11H,3-4,8H2,1H3,(H,15,18)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-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-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8640967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).