2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide

C14H19N3O4 — CID 62170102

IUPAC2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCOCC1
InChIInChI=1S/C14H19N3O4/c1-2-15-13-4-3-11(17(19)20)9-12(13)14(18)16-10-5-7-21-8-6-10/h3-4,9-10,15H,2,5-8H2,1H3,(H,16,18)
InChIKeyNUJHULPFZHJWHH-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.94
Rot. Bonds5

About 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide

2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide (PubChem CID 62170102) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
PubChem CID62170102
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCOCC1
InChIInChI=1S/C14H19N3O4/c1-2-15-13-4-3-11(17(19)20)9-12(13)14(18)16-10-5-7-21-8-6-10/h3-4,9-10,15H,2,5-8H2,1H3,(H,16,18)
InChIKeyNUJHULPFZHJWHH-UHFFFAOYSA-N
XLogP1.94
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.94
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

N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
CID 82734470
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
3-(ethylamino)-4-nitro-N-(oxolan-3-yl)benzamide
CID 80715844
2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide
CID 78809781
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide (CID 62170102) is 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCOCC1.
What is the InChIKey of 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide?
The InChIKey is NUJHULPFZHJWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-15-13-4-3-11(17(19)20)9-12(13)14(18)16-10-5-7-21-8-6-10/h3-4,9-10,15H,2,5-8H2,1H3,(H,16,18).
What are the key properties of 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide?
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 62170102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).