3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide

C14H18N2O5 — CID 103801674

IUPAC3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
SMILESCOCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1
InChIInChI=1S/C14H18N2O5/c1-21-7-6-14(4-5-14)9-15-13(18)10-2-3-11(16(19)20)12(17)8-10/h2-3,8,17H,4-7,9H2,1H3,(H,15,18)
InChIKeyDSASVCXZWZJTHB-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.85
Rot. Bonds7

About 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide

3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide (PubChem CID 103801674) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
PubChem CID103801674
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
SMILESCOCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1
InChIInChI=1S/C14H18N2O5/c1-21-7-6-14(4-5-14)9-15-13(18)10-2-3-11(16(19)20)12(17)8-10/h2-3,8,17H,4-7,9H2,1H3,(H,15,18)
InChIKeyDSASVCXZWZJTHB-UHFFFAOYSA-N
XLogP1.85
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
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

3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103756097
5-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 103804720
3-chloro-N-[(1-ethylcyclopropyl)methyl]-4-nitrobenzamide
CID 103873302
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-methyl-3-nitrobenzamide
CID 114751351
3-hydroxy-4-nitro-N-octylbenzamide
CID 107076296
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
2-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801673
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693
4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-nitrobenzamide
CID 114756205
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide?
The IUPAC name of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide (CID 103801674) is 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide.
What is the SMILES notation for 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide?
The canonical SMILES for 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide is COCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1.
What is the InChIKey of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide?
The InChIKey is DSASVCXZWZJTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-7-6-14(4-5-14)9-15-13(18)10-2-3-11(16(19)20)12(17)8-10/h2-3,8,17H,4-7,9H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide?
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide has a molecular weight of 294.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide is sourced from PubChem (CID 103801674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).