N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide

C19H23N3O4 — CID 120884384

IUPACN-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4/c1-2-26-18-9-8-16(14-17(18)22(24)25)19(23)21(13-11-20)12-10-15-6-4-3-5-7-15/h3-9,14H,2,10-13,20H2,1H3
InChIKeyXSESEQOKVFZDHV-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.64
Rot. Bonds9

About N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide

N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide (PubChem CID 120884384) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
PubChem CID120884384
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4/c1-2-26-18-9-8-16(14-17(18)22(24)25)19(23)21(13-11-20)12-10-15-6-4-3-5-7-15/h3-9,14H,2,10-13,20H2,1H3
InChIKeyXSESEQOKVFZDHV-UHFFFAOYSA-N
XLogP2.64
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.64
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

N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884383
N-(2-aminoethyl)-3-methyl-4-nitro-N-(2-phenylethyl)benzamide
CID 120887038
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
3-[(4-ethoxy-3-nitrobenzoyl)-ethylamino]propanoic acid
CID 119191364
N-benzyl-4-ethoxy-3-nitro-N-propan-2-ylbenzamide
CID 30099872
N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886449
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
N-(2-aminoethyl)-4-(difluoromethoxy)-3-methoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886341
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950
N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 120886264

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide (CID 120884384) is N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide is CCOc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is XSESEQOKVFZDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-26-18-9-8-16(14-17(18)22(24)25)19(23)21(13-11-20)12-10-15-6-4-3-5-7-15/h3-9,14H,2,10-13,20H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide?
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120884384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).