N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide

C19H21N3O5 — CID 1317507

IUPACN-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-13(2)11-20-19(24)14-4-3-5-15(10-14)21-18(23)12-27-17-8-6-16(7-9-17)22(25)26/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyUUYCYQRUEGTFJD-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.00
Rot. Bonds8

About N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide

N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (PubChem CID 1317507) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
PubChem CID1317507
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-13(2)11-20-19(24)14-4-3-5-15(10-14)21-18(23)12-27-17-8-6-16(7-9-17)22(25)26/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyUUYCYQRUEGTFJD-UHFFFAOYSA-N
XLogP3.00
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.00
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

4'-Methoxy-3-nitrobenzanilide
CID 306529
4-nitrophenyl N-benzoylglycinate
CID 569973
Ica-105574
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Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
2-nitro-N-(2-phenoxyethyl)benzamide
CID 2253073
N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580264
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
N-[2-(2-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580266
N-[4-(benzyloxy)phenyl]-3-nitro-4-methoxybenzamide
CID 1219371
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-nitro-4-oxochromene-2-carboxamide
CID 145982457
4-methoxy-3-nitro-N-phenethylbenzamide
CID 823655
3-[(cyclopentylcarbonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1020066

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (CID 1317507) is N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is CC(C)CNC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The InChIKey is UUYCYQRUEGTFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-13(2)11-20-19(24)14-4-3-5-15(10-14)21-18(23)12-27-17-8-6-16(7-9-17)22(25)26/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 1317507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).