3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide

C14H19N3O3 — CID 63656778

IUPAC3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C14H19N3O3/c1-16(9-10-4-2-3-5-10)14(18)11-6-7-13(17(19)20)12(15)8-11/h6-8,10H,2-5,9,15H2,1H3
InChIKeyGOGJRZZCDACIKI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.44
Rot. Bonds4

About 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide

3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide (PubChem CID 63656778) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
PubChem CID63656778
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C14H19N3O3/c1-16(9-10-4-2-3-5-10)14(18)11-6-7-13(17(19)20)12(15)8-11/h6-8,10H,2-5,9,15H2,1H3
InChIKeyGOGJRZZCDACIKI-UHFFFAOYSA-N
XLogP2.44
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
4-bromo-N-(cyclopentylmethyl)-N-methyl-3-nitrobenzamide
CID 63632321
3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 62680515
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 82846072
4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
CID 55041700
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide (CID 63656778) is 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide is CN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide?
The InChIKey is GOGJRZZCDACIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(9-10-4-2-3-5-10)14(18)11-6-7-13(17(19)20)12(15)8-11/h6-8,10H,2-5,9,15H2,1H3.
What are the key properties of 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide?
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 63656778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).