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

C13H17N3O3 — CID 62682663

IUPACN-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
SMILESCNc1cc(C(=O)NCC2CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-14-11-7-10(5-6-12(11)16(18)19)13(17)15-8-9-3-2-4-9/h5-7,9,14H,2-4,8H2,1H3,(H,15,17)
InChIKeyUJXYEQIWHQZCNN-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.17
Rot. Bonds5

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

N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide (PubChem CID 62682663) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
PubChem CID62682663
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
SMILESCNc1cc(C(=O)NCC2CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-14-11-7-10(5-6-12(11)16(18)19)13(17)15-8-9-3-2-4-9/h5-7,9,14H,2-4,8H2,1H3,(H,15,17)
InChIKeyUJXYEQIWHQZCNN-UHFFFAOYSA-N
XLogP2.17
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.17
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

N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
CID 17409199
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
N-(3-amino-3-oxopropyl)-3-(methylamino)-4-nitrobenzamide
CID 55102981
3-(methylamino)-4-nitro-N-(2-propan-2-yloxyethyl)benzamide
CID 104765549
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
CID 43244057
3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide
CID 62682694
N-methyl-4-nitro-3-(oxan-4-ylmethylamino)benzamide
CID 82993045
N-(5-amino-5-oxopentyl)-3-(methylamino)-4-nitrobenzamide
CID 106241069

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide (CID 62682663) is N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide is CNc1cc(C(=O)NCC2CCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide?
The InChIKey is UJXYEQIWHQZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-11-7-10(5-6-12(11)16(18)19)13(17)15-8-9-3-2-4-9/h5-7,9,14H,2-4,8H2,1H3,(H,15,17).
What are the key properties of N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide?
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide is sourced from PubChem (CID 62682663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).