2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide

C14H19N3O4 — CID 82734470

IUPAC2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C14H19N3O4/c1-3-15-13-5-4-10(17(19)20)8-12(13)14(18)16(2)11-6-7-21-9-11/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyUNPZSIJQYRYPLX-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.89
Rot. Bonds5

About 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide

2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide (PubChem CID 82734470) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
PubChem CID82734470
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C14H19N3O4/c1-3-15-13-5-4-10(17(19)20)8-12(13)14(18)16(2)11-6-7-21-9-11/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyUNPZSIJQYRYPLX-UHFFFAOYSA-N
XLogP1.89
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
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

2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide
CID 62236333
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
2-[methyl(oxolan-3-yl)amino]-5-nitrobenzoic acid
CID 82740438
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 82743903
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide (CID 82734470) is 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCOC1.
What is the InChIKey of 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide?
The InChIKey is UNPZSIJQYRYPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-15-13-5-4-10(17(19)20)8-12(13)14(18)16(2)11-6-7-21-9-11/h4-5,8,11,15H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide?
2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 82734470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).