N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide

C15H18N2O5 — CID 99703380

IUPACN-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide
SMILESO=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N2O5/c18-13-4-3-10(7-12(13)17(20)21)15(19)16-11-5-6-22-14(8-11)9-1-2-9/h3-4,7,9,11,14,18H,1-2,5-6,8H2,(H,16,19)/t11-,14-/m0/s1
InChIKeyCQADNTWGSVTSJQ-FZMZJTMJSA-N
MW306.32 g/mol
LogP1.99
Rot. Bonds4

About N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide

N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide (PubChem CID 99703380) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide
PubChem CID99703380
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide
SMILESO=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N2O5/c18-13-4-3-10(7-12(13)17(20)21)15(19)16-11-5-6-22-14(8-11)9-1-2-9/h3-4,7,9,11,14,18H,1-2,5-6,8H2,(H,16,19)/t11-,14-/m0/s1
InChIKeyCQADNTWGSVTSJQ-FZMZJTMJSA-N
XLogP1.99
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.99
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'}

Analyze N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-cyclopropyloxan-4-yl)amino]-N-methyl-3-nitrobenzamide
CID 133473610
4-hydroxy-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 131961007
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
4-(dimethylamino)-3-nitro-N-[(2R,4S)-2-pentan-3-yloxan-4-yl]benzamide
CID 97259816
[4-[(2-cyclopropyloxan-4-yl)amino]-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133473731
4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
CID 154862046
2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641
N-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-nitrobenzamide
CID 103846992
4-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99577391
[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(4-hydroxy-3-nitrophenyl)methanone
CID 99577529
[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(4-hydroxy-3-nitrophenyl)methanone
CID 99577528
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide?
The IUPAC name of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide (CID 99703380) is N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide is O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide?
The InChIKey is CQADNTWGSVTSJQ-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-13-4-3-10(7-12(13)17(20)21)15(19)16-11-5-6-22-14(8-11)9-1-2-9/h3-4,7,9,11,14,18H,1-2,5-6,8H2,(H,16,19)/t11-,14-/m0/s1.
What are the key properties of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide?
N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide has a molecular weight of 306.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 99703380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).