3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide

C14H21N3O4 — CID 110906774

IUPAC3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCN(CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H21N3O4/c1-3-16(9-10-18)8-7-14(19)15-12-5-4-6-13(11(12)2)17(20)21/h4-6,18H,3,7-10H2,1-2H3,(H,15,19)
InChIKeyTUFZBCZMHGTYDI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds8

About 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide

3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 110906774) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID110906774
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCN(CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H21N3O4/c1-3-16(9-10-18)8-7-14(19)15-12-5-4-6-13(11(12)2)17(20)21/h4-6,18H,3,7-10H2,1-2H3,(H,15,19)
InChIKeyTUFZBCZMHGTYDI-UHFFFAOYSA-N
XLogP1.55
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
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

3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 75405381
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091
3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 33477902
N-(2-methyl-3-nitrophenyl)-2-propylsulfonylacetamide
CID 47379973
2-[ethyl-[(2-methyl-3-nitrophenyl)carbamoyl]amino]acetic acid
CID 107810958
2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 103606726
3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 890273
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
CID 29354387
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 84567705
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide (CID 110906774) is 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide is CCN(CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is TUFZBCZMHGTYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-16(9-10-18)8-7-14(19)15-12-5-4-6-13(11(12)2)17(20)21/h4-6,18H,3,7-10H2,1-2H3,(H,15,19).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide?
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 110906774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).