N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide

C18H19N3O5 — CID 17204997

IUPACN-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O5/c1-26-12-2-11-19-17(22)13-3-7-15(8-4-13)20-18(23)14-5-9-16(10-6-14)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyGSYVZSIPPXHLOG-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.61
Rot. Bonds8

About N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide

N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 17204997) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
PubChem CID17204997
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O5/c1-26-12-2-11-19-17(22)13-3-7-15(8-4-13)20-18(23)14-5-9-16(10-6-14)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyGSYVZSIPPXHLOG-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
CID 3938181
1-(3-methoxypropyl)-3-(4-nitrophenyl)thiourea
CID 8624584
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 17218194
N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide
CID 26160071
methyl 4-[3-[(4-nitrobenzoyl)amino]propoxy]benzoate
CID 142721853
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 19411100
N-[3-(2-chloroethoxy)propyl]-4-nitrobenzamide
CID 114171314
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide (CID 17204997) is N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide is COCCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is GSYVZSIPPXHLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-26-12-2-11-19-17(22)13-3-7-15(8-4-13)20-18(23)14-5-9-16(10-6-14)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide?
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 357.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 17204997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).