4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide

C14H19N3O4 — CID 82993102

IUPAC4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(OCC2(N)CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-16-13(18)10-4-5-12(11(8-10)17(19)20)21-9-14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyOPDGCGVPOVEALT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.60
Rot. Bonds5

About 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide

4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide (PubChem CID 82993102) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide
PubChem CID82993102
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(OCC2(N)CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-16-13(18)10-4-5-12(11(8-10)17(19)20)21-9-14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyOPDGCGVPOVEALT-UHFFFAOYSA-N
XLogP1.60
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[(4-iodo-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 66082541
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
4-(2-amino-2-ethylbutoxy)-N-methyl-3-nitrobenzamide
CID 82993103
4-(2-amino-2-methylbutoxy)-N-methyl-3-nitrobenzamide
CID 82999750
4-[(1-hydroxycyclohexyl)methoxy]-3-nitrobenzoic acid
CID 65213761
N-methyl-3-nitro-4-(pyrrolidin-3-ylmethoxy)benzamide
CID 82999537
4-[2-(aminomethyl)cyclopentyl]oxy-N-methyl-3-nitrobenzamide
CID 82993104
4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
CID 120887298
4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide
CID 82999612
N-[(1-aminocyclohexyl)methyl]-4-methyl-3-nitrobenzamide;hydrochloride
CID 119404442
1-[(2-methyl-4-nitrophenoxy)methyl]cycloheptan-1-amine
CID 64548981
3-(2-amino-2-methylpropoxy)-N-methyl-4-nitrobenzamide
CID 82989302

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide (CID 82993102) is 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(OCC2(N)CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide?
The InChIKey is OPDGCGVPOVEALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16-13(18)10-4-5-12(11(8-10)17(19)20)21-9-14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3,(H,16,18).
What are the key properties of 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide?
4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 82993102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).