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

C19H21N3O5 — CID 17198813

IUPACN-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-3-13(2)20-19(24)14-5-4-6-15(11-14)21-18(23)12-27-17-9-7-16(8-10-17)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFWTDMPDOMKLPGJ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.14
Rot. Bonds8

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

N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (PubChem CID 17198813) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
PubChem CID17198813
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-3-13(2)20-19(24)14-5-4-6-15(11-14)21-18(23)12-27-17-9-7-16(8-10-17)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFWTDMPDOMKLPGJ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 9323564
N-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253554
N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253549
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (CID 17198813) is N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The InChIKey is FWTDMPDOMKLPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-13(2)20-19(24)14-5-4-6-15(11-14)21-18(23)12-27-17-9-7-16(8-10-17)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17198813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).