N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide

C18H19N3O5 — CID 1293567

IUPACN-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-2-5-17(22)19-15-6-3-4-7-16(15)20-18(23)12-26-14-10-8-13(9-11-14)21(24)25/h3-4,6-11H,2,5,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyDOCRPONWLSEOSQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.35
Rot. Bonds8

About N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide

N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide (PubChem CID 1293567) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
PubChem CID1293567
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-2-5-17(22)19-15-6-3-4-7-16(15)20-18(23)12-26-14-10-8-13(9-11-14)21(24)25/h3-4,6-11H,2,5,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyDOCRPONWLSEOSQ-UHFFFAOYSA-N
XLogP3.35
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.35
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-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide (CID 1293567) is N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide?
The InChIKey is DOCRPONWLSEOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-2-5-17(22)19-15-6-3-4-7-16(15)20-18(23)12-26-14-10-8-13(9-11-14)21(24)25/h3-4,6-11H,2,5,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide?
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide has a molecular weight of 357.37 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 1293567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).