2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide

C14H21N3O4 — CID 115588576

IUPAC2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC(C)C
InChIInChI=1S/C14H21N3O4/c1-10(2)9-21-7-6-16-14(18)12-8-11(17(19)20)4-5-13(12)15-3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyUDOIKFBAQWPFCE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.04
Rot. Bonds8

About 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide

2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide (PubChem CID 115588576) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide
PubChem CID115588576
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC(C)C
InChIInChI=1S/C14H21N3O4/c1-10(2)9-21-7-6-16-14(18)12-8-11(17(19)20)4-5-13(12)15-3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyUDOIKFBAQWPFCE-UHFFFAOYSA-N
XLogP2.04
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.04
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-[2-(2,2-difluoroethoxy)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 103097014
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-(methylamino)-N-(3-methylsulfinylbutyl)-5-nitrobenzamide
CID 115729431
2-(methylamino)-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 115616666
N-methyl-2-[2-(2-methylpropoxy)ethoxymethyl]-4-nitroaniline
CID 106449247
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-nitrobenzamide
CID 103082387
2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
2-methyl-N-[2-(2-methylpropoxy)ethyl]-4-nitroaniline
CID 115671729
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 63837382

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide (CID 115588576) is 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC(C)C.
What is the InChIKey of 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide?
The InChIKey is UDOIKFBAQWPFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(2)9-21-7-6-16-14(18)12-8-11(17(19)20)4-5-13(12)15-3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide?
2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide is sourced from PubChem (CID 115588576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).