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

C19H21N3O5 — CID 9323564

IUPACN-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)21-18(24)13-5-4-6-14(11-13)20-17(23)12-27-16-9-7-15(8-10-16)22(25)26/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyHFQCBBGFERSKEZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.14
Rot. Bonds6

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

N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (PubChem CID 9323564) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
PubChem CID9323564
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)21-18(24)13-5-4-6-14(11-13)20-17(23)12-27-16-9-7-15(8-10-16)22(25)26/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyHFQCBBGFERSKEZ-UHFFFAOYSA-N
XLogP3.14
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.14
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-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 17198813
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-(tert-butylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 28639375
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (CID 9323564) is N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The InChIKey is HFQCBBGFERSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-19(2,3)21-18(24)13-5-4-6-14(11-13)20-17(23)12-27-16-9-7-15(8-10-16)22(25)26/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 9323564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).