4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide

C13H17N3O3 — CID 115670988

IUPAC4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)NC2CC(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-5-10(6-8)15-13(17)9-3-4-11(14-2)12(7-9)16(18)19/h3-4,7-8,10,14H,5-6H2,1-2H3,(H,15,17)
InChIKeyIDIDLVNWDICKPM-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.16
Rot. Bonds4

About 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide

4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide (PubChem CID 115670988) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
PubChem CID115670988
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)NC2CC(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-5-10(6-8)15-13(17)9-3-4-11(14-2)12(7-9)16(18)19/h3-4,7-8,10,14H,5-6H2,1-2H3,(H,15,17)
InChIKeyIDIDLVNWDICKPM-UHFFFAOYSA-N
XLogP2.16
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.16
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

4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide
CID 103082472
4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
CID 114540566
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-(3-aminocyclobutyl)-4-methyl-3-nitrobenzamide
CID 43595120
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide
CID 32507530
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-(methylamino)-3-nitrobenzamide
CID 51081266
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(methylamino)-3-nitrobenzamide
CID 100839712
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide?
The IUPAC name of 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide (CID 115670988) is 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide?
The canonical SMILES for 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide is CNc1ccc(C(=O)NC2CC(C)C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide?
The InChIKey is IDIDLVNWDICKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-5-10(6-8)15-13(17)9-3-4-11(14-2)12(7-9)16(18)19/h3-4,7-8,10,14H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide?
4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide is sourced from PubChem (CID 115670988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).