N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide

C11H14N2O6 — CID 104783674

IUPACN-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NC(CO)CO
InChIInChI=1S/C11H14N2O6/c1-19-10-4-8(13(17)18)2-3-9(10)11(16)12-7(5-14)6-15/h2-4,7,14-15H,5-6H2,1H3,(H,12,16)
InChIKeyQZCQWBKKNLSRAM-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.31
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide

N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide (PubChem CID 104783674) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
PubChem CID104783674
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NC(CO)CO
InChIInChI=1S/C11H14N2O6/c1-19-10-4-8(13(17)18)2-3-9(10)11(16)12-7(5-14)6-15/h2-4,7,14-15H,5-6H2,1H3,(H,12,16)
InChIKeyQZCQWBKKNLSRAM-UHFFFAOYSA-N
XLogP-0.31
TPSA121.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-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

N-(1-cyanopropyl)-2-methoxy-4-nitrobenzamide
CID 104783373
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-nitrobenzamide
CID 65312867
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
N-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 80751071
2-methoxy-4-nitrobenzoate
CID 6995516
N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-4-nitrobenzamide
CID 104783659
N-(2-amino-3-methylbutyl)-2-methoxy-4-nitrobenzamide
CID 104783820
N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
CID 113465196

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide (CID 104783674) is N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide is COc1cc([N+](=O)[O-])ccc1C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide?
The InChIKey is QZCQWBKKNLSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-19-10-4-8(13(17)18)2-3-9(10)11(16)12-7(5-14)6-15/h2-4,7,14-15H,5-6H2,1H3,(H,12,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide?
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide has a molecular weight of 270.24 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide is sourced from PubChem (CID 104783674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).