N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide

C20H23N3O5 — CID 26161226

IUPACN-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H23N3O5/c1-2-3-4-8-19(24)21-15-6-5-7-16(13-15)22-20(25)14-28-18-11-9-17(10-12-18)23(26)27/h5-7,9-13H,2-4,8,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyXXHBPDPLONTZPW-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.13
Rot. Bonds10

About N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide

N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide (PubChem CID 26161226) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
PubChem CID26161226
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H23N3O5/c1-2-3-4-8-19(24)21-15-6-5-7-16(13-15)22-20(25)14-28-18-11-9-17(10-12-18)23(26)27/h5-7,9-13H,2-4,8,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyXXHBPDPLONTZPW-UHFFFAOYSA-N
XLogP4.13
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
CID 4958800
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086678
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide (CID 26161226) is N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide?
The InChIKey is XXHBPDPLONTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-3-4-8-19(24)21-15-6-5-7-16(13-15)22-20(25)14-28-18-11-9-17(10-12-18)23(26)27/h5-7,9-13H,2-4,8,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide?
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide has a molecular weight of 385.42 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide is sourced from PubChem (CID 26161226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).