N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide

C18H18N4O6 — CID 19933575

IUPACN-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide
SMILESCC(CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O6/c1-12(19-17(23)13-3-7-15(8-4-13)21(25)26)11-20(2)18(24)14-5-9-16(10-6-14)22(27)28/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyMTVNMZBXVYBGIF-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.39
Rot. Bonds7

About N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide

N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide (PubChem CID 19933575) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide
PubChem CID19933575
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide
SMILESCC(CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O6/c1-12(19-17(23)13-3-7-15(8-4-13)21(25)26)11-20(2)18(24)14-5-9-16(10-6-14)22(27)28/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyMTVNMZBXVYBGIF-UHFFFAOYSA-N
XLogP2.39
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
N-methyl-4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475365
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-nitrobenzamide
CID 141010138
N-[1-(4-methylphenoxy)propan-2-yl]-4-nitrobenzamide
CID 132650572
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 7372197
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 3588676
N-(1-hydroxy-4-methylpentan-3-yl)-4-nitrobenzamide
CID 103751033
4-methyl-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 16794620
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N,N-bis[(2R)-butan-2-yl]-4-nitrobenzamide
CID 844902

Frequently Asked Questions

What is the IUPAC name of N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide?
The IUPAC name of N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide (CID 19933575) is N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide?
The canonical SMILES for N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide is CC(CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide?
The InChIKey is MTVNMZBXVYBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6/c1-12(19-17(23)13-3-7-15(8-4-13)21(25)26)11-20(2)18(24)14-5-9-16(10-6-14)22(27)28/h3-10,12H,11H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide?
N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide has a molecular weight of 386.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide is sourced from PubChem (CID 19933575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).