N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide

C18H19N3O4 — CID 54790194

IUPACN-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide
SMILESNC(=O)CCN(CCc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c19-17(22)11-13-20(12-10-14-6-2-1-3-7-14)18(23)15-8-4-5-9-16(15)21(24)25/h1-9H,10-13H2,(H2,19,22)
InChIKeyJGUWWNHJODTDQS-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.16
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide

N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide (PubChem CID 54790194) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide
PubChem CID54790194
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide
SMILESNC(=O)CCN(CCc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c19-17(22)11-13-20(12-10-14-6-2-1-3-7-14)18(23)15-8-4-5-9-16(15)21(24)25/h1-9H,10-13H2,(H2,19,22)
InChIKeyJGUWWNHJODTDQS-UHFFFAOYSA-N
XLogP2.16
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyanoethyl)-2-nitro-N-(2-phenylethyl)benzamide
CID 54790308
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
CID 54789698
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
2-[(2-nitrobenzoyl)-propylamino]acetic acid
CID 61012063
N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-nitroanilino)propanamide
CID 134033313
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
CID 54789845
benzyl N-(2-hydroxyethyl)-N-[3-(2-nitrophenyl)-3-oxopropyl]carbamate
CID 70215142
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
CID 54789789
N-(1,3-benzothiazol-2-yl)-2-nitro-N-(2-phenylethyl)benzamide
CID 51533329

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide (CID 54790194) is N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide is NC(=O)CCN(CCc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is JGUWWNHJODTDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c19-17(22)11-13-20(12-10-14-6-2-1-3-7-14)18(23)15-8-4-5-9-16(15)21(24)25/h1-9H,10-13H2,(H2,19,22).
What are the key properties of N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide?
N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 54790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).