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

C18H19N3O5 — CID 26160071

IUPACN-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H19N3O5/c1-26-10-4-9-19-17(22)13-5-2-7-15(11-13)20-18(23)14-6-3-8-16(12-14)21(24)25/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyYZLQHOJFXTXTHQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.61
Rot. Bonds8

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

N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide (PubChem CID 26160071) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide
PubChem CID26160071
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H19N3O5/c1-26-10-4-9-19-17(22)13-5-2-7-15(11-13)20-18(23)14-6-3-8-16(12-14)21(24)25/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyYZLQHOJFXTXTHQ-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

N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide
CID 26160705
N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 17218194
3-nitro-N-[7-[(3-nitrobenzoyl)amino]heptyl]benzamide
CID 3626830
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
1-[3-(2-methoxyethoxy)propyl]-3-(3-nitrophenyl)urea
CID 24626919
N-(3-acetamidopropyl)-3-nitrobenzamide
CID 38449857
3-[(3-nitrobenzoyl)carbamothioylamino]-N-propylbenzamide
CID 17223003
N-[3-(2-chloroethoxy)propyl]-3-nitrobenzamide
CID 114171390
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide (CID 26160071) is N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide is COCCCNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide?
The InChIKey is YZLQHOJFXTXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-26-10-4-9-19-17(22)13-5-2-7-15(11-13)20-18(23)14-6-3-8-16(12-14)21(24)25/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide?
N-(3-methoxypropyl)-3-[(3-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)-3-[(3-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 26160071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).