2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide

C11H14N4O4 — CID 62059014

IUPAC2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
SMILESCNC(=O)C(C)NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H14N4O4/c1-6(10(16)13-2)14-11(17)8-5-7(15(18)19)3-4-9(8)12/h3-6H,12H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyQHAGZMOUWWKYBA-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.04
Rot. Bonds4

About 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide

2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide (PubChem CID 62059014) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
PubChem CID62059014
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
SMILESCNC(=O)C(C)NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H14N4O4/c1-6(10(16)13-2)14-11(17)8-5-7(15(18)19)3-4-9(8)12/h3-6H,12H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyQHAGZMOUWWKYBA-UHFFFAOYSA-N
XLogP0.04
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
CID 64605955
N-(1-amino-1-oxopropan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 60698893
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 64643080
(2R)-2-[(2-bromo-5-nitrobenzoyl)amino]propanoic acid
CID 78979087
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61292265
methyl (2R)-2-[(2,4-dinitrobenzoyl)amino]propanoate
CID 2311576
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]propanoic acid
CID 54991135
(2S)-2-[(5-nitro-2-propan-2-ylsulfanylbenzoyl)amino]propanoic acid
CID 120526021
2-amino-5-nitro-N-[(3R)-1,1,1-trifluoropentan-3-yl]benzamide
CID 129358451
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-5-nitrobenzamide
CID 61041847
potassium 2-amino-5-nitrobenzoate
CID 171152190

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide?
The IUPAC name of 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide (CID 62059014) is 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide is CNC(=O)C(C)NC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide?
The InChIKey is QHAGZMOUWWKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-6(10(16)13-2)14-11(17)8-5-7(15(18)19)3-4-9(8)12/h3-6H,12H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide?
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide has a molecular weight of 266.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide is sourced from PubChem (CID 62059014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).