2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide

C15H21N3O4 — CID 86806146

IUPAC2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide
SMILESCOCCC1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCCC1
InChIInChI=1S/C15H21N3O4/c1-22-9-8-15(6-2-3-7-15)17-14(19)12-10-11(18(20)21)4-5-13(12)16/h4-5,10H,2-3,6-9,16H2,1H3,(H,17,19)
InChIKeySDMGVAZTLTXXHH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.26
Rot. Bonds6

About 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide

2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide (PubChem CID 86806146) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide
PubChem CID86806146
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide
SMILESCOCCC1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCCC1
InChIInChI=1S/C15H21N3O4/c1-22-9-8-15(6-2-3-7-15)17-14(19)12-10-11(18(20)21)4-5-13(12)16/h4-5,10H,2-3,6-9,16H2,1H3,(H,17,19)
InChIKeySDMGVAZTLTXXHH-UHFFFAOYSA-N
XLogP2.26
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
CID 62518781
N-[1-(bromomethyl)cyclopentyl]-2-methyl-4-nitrobenzamide
CID 114311554
2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
CID 64605955
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
2-amino-N-(2,2-dimethylcyclohexyl)-5-nitrobenzamide
CID 79871473
2-[1-[(2-iodo-5-nitrobenzoyl)amino]cyclobutyl]acetic acid
CID 103790767
2-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801673
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 102977042
methyl 1-[(2-chloro-4-nitrobenzoyl)amino]cyclohexane-1-carboxylate
CID 25467190
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 9111333
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
CID 62410185

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide?
The IUPAC name of 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide (CID 86806146) is 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide is COCCC1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCCC1.
What is the InChIKey of 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide?
The InChIKey is SDMGVAZTLTXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-22-9-8-15(6-2-3-7-15)17-14(19)12-10-11(18(20)21)4-5-13(12)16/h4-5,10H,2-3,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide?
2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide has a molecular weight of 307.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide is sourced from PubChem (CID 86806146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).