2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide

C14H19N3O3 — CID 104773289

IUPAC2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
SMILESCNc1c(C(=O)NCC2(C)CCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-14(7-4-8-14)9-16-13(18)10-5-3-6-11(17(19)20)12(10)15-2/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,18)
InChIKeyIQGHKBVMLAMKOM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.56
Rot. Bonds5

About 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide

2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide (PubChem CID 104773289) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
PubChem CID104773289
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
SMILESCNc1c(C(=O)NCC2(C)CCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-14(7-4-8-14)9-16-13(18)10-5-3-6-11(17(19)20)12(10)15-2/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,18)
InChIKeyIQGHKBVMLAMKOM-UHFFFAOYSA-N
XLogP2.56
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
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

2-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]-3-nitrobenzamide
CID 115936896
2-(methylamino)-N-(4-methyloxan-4-yl)-3-nitrobenzamide
CID 104773319
3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 115549077
N-[2-(dimethylamino)ethyl]-2-(methylamino)-3-nitrobenzamide
CID 112580559
2-(methylamino)-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125
4,5-difluoro-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 63820662
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
1-[[(2-methyl-3-nitrobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369460
5-chloro-N-[(1-methylcyclohexyl)methyl]-2-nitrobenzamide
CID 103753259
2-iodo-N-[(1-methylcyclobutyl)methyl]-5-nitrobenzamide
CID 113251845
4-chloro-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
CID 103738127
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 115362547

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide (CID 104773289) is 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide is CNc1c(C(=O)NCC2(C)CCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide?
The InChIKey is IQGHKBVMLAMKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(7-4-8-14)9-16-13(18)10-5-3-6-11(17(19)20)12(10)15-2/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide?
2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 104773289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).