N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide

C19H21N3O5 — CID 2957400

IUPACN-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-3-4-5-18(23)20-14-8-6-13(7-9-14)19(24)21-16-11-10-15(27-2)12-17(16)22(25)26/h6-12H,3-5H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyACUJAZISLZNADN-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.98
Rot. Bonds8

About N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide

N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide (PubChem CID 2957400) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide
PubChem CID2957400
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-3-4-5-18(23)20-14-8-6-13(7-9-14)19(24)21-16-11-10-15(27-2)12-17(16)22(25)26/h6-12H,3-5H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyACUJAZISLZNADN-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide (CID 2957400) is N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide?
The InChIKey is ACUJAZISLZNADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-4-5-18(23)20-14-8-6-13(7-9-14)19(24)21-16-11-10-15(27-2)12-17(16)22(25)26/h6-12H,3-5H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide?
N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2957400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).