4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide

C12H15N3O4 — CID 66239839

IUPAC4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCC2N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-7-2-3-10(11(4-7)15(17)18)14-12(16)8-5-19-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3,(H,14,16)
InChIKeyAESLQCHLVMMEKG-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide

4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide (PubChem CID 66239839) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide
PubChem CID66239839
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCC2N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-7-2-3-10(11(4-7)15(17)18)14-12(16)8-5-19-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3,(H,14,16)
InChIKeyAESLQCHLVMMEKG-UHFFFAOYSA-N
XLogP0.82
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.82
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

4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
CID 66241218
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate
CID 4548221
4-amino-N-(4-methyl-2-nitrophenyl)oxane-4-carboxamide
CID 115293950
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
2,3-dimethyl-4-(4-methyl-2-nitroanilino)-4-oxobut-2-enoic acid
CID 76992857
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
CID 64823152
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide (CID 66239839) is 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide is Cc1ccc(NC(=O)C2COCC2N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide?
The InChIKey is AESLQCHLVMMEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-2-3-10(11(4-7)15(17)18)14-12(16)8-5-19-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide?
4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).