N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide

C16H19N3O4 — CID 94836383

IUPACN-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C16H19N3O4/c1-2-18(9-11-6-7-23-10-11)16(20)13-8-12-4-3-5-14(19(21)22)15(12)17-13/h3-5,8,11,17H,2,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyURXCWPXPLDEHHP-LLVKDONJSA-N
MW317.34 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide

N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 94836383) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID94836383
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C16H19N3O4/c1-2-18(9-11-6-7-23-10-11)16(20)13-8-12-4-3-5-14(19(21)22)15(12)17-13/h3-5,8,11,17H,2,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyURXCWPXPLDEHHP-LLVKDONJSA-N
XLogP2.57
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide 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-ethyl-4,5-dimethoxy-2-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94799727
N-ethyl-4-(methylamino)-3-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94797422
2-(dimethylamino)-N-ethyl-5-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94806475
N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 95619761
N-ethyl-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1,3-dihydroimidazole-4-carboxamide
CID 95275267
2-chloro-N-ethyl-3-nitro-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 64868737
N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 47266467
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63117988
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide (CID 94836383) is N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide is CCN(C[C@H]1CCOC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is URXCWPXPLDEHHP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-18(9-11-6-7-23-10-11)16(20)13-8-12-4-3-5-14(19(21)22)15(12)17-13/h3-5,8,11,17H,2,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide?
N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 94836383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).