N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide

C15H21N3O3 — CID 103741365

IUPACN-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide
SMILESCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2NC)CCC1
InChIInChI=1S/C15H21N3O3/c1-3-15(7-4-8-15)10-17-14(19)12-9-11(18(20)21)5-6-13(12)16-2/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyDCSRXOKRCPLBHW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.95
Rot. Bonds6

About N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide

N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide (PubChem CID 103741365) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide
PubChem CID103741365
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide
SMILESCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2NC)CCC1
InChIInChI=1S/C15H21N3O3/c1-3-15(7-4-8-15)10-17-14(19)12-9-11(18(20)21)5-6-13(12)16-2/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyDCSRXOKRCPLBHW-UHFFFAOYSA-N
XLogP2.95
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.95
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-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
CID 103766411
2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide
CID 62173702
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 114109624
N-[(1-ethylcyclobutyl)methyl]-2,5-difluoro-4-nitrobenzamide
CID 104705327
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 107420613
2-(methylamino)-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 115616666
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63823221
2-iodo-N-[(1-methylcyclobutyl)methyl]-5-nitrobenzamide
CID 113251845

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide (CID 103741365) is N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide is CCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2NC)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide?
The InChIKey is DCSRXOKRCPLBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(7-4-8-15)10-17-14(19)12-9-11(18(20)21)5-6-13(12)16-2/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide?
N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 103741365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).