N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide

C13H17N3O4 — CID 7780191

IUPACN-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O4/c1-3-8-14-12(17)9-15(2)13(18)10-4-6-11(7-5-10)16(19)20/h4-7H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyCMXXPLZPXGAGBJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.19
Rot. Bonds6

About N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide

N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 7780191) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID7780191
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O4/c1-3-8-14-12(17)9-15(2)13(18)10-4-6-11(7-5-10)16(19)20/h4-7H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyCMXXPLZPXGAGBJ-UHFFFAOYSA-N
XLogP1.19
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475365
2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61041053
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 9457877
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
4-(1,3-dithiolan-2-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972240
(2S)-2-[[2-[methyl-[2-[methyl-(4-nitrobenzoyl)amino]acetyl]amino]acetyl]amino]butanedioic acid
CID 11718782
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 7780191) is N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is CMXXPLZPXGAGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-3-8-14-12(17)9-15(2)13(18)10-4-6-11(7-5-10)16(19)20/h4-7H,3,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 279.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 7780191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).