2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide

C15H21N3O3 — CID 104877743

IUPAC2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C15H21N3O3/c16-14-8-7-12(18(20)21)10-13(14)15(19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,19)
InChIKeyUEEANZNZMZTZKZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.88
Rot. Bonds6

About 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide

2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide (PubChem CID 104877743) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
PubChem CID104877743
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C15H21N3O3/c16-14-8-7-12(18(20)21)10-13(14)15(19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,19)
InChIKeyUEEANZNZMZTZKZ-UHFFFAOYSA-N
XLogP2.88
TPSA98.26 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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide
CID 106013508
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide
CID 107200833
N-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-3-nitrobenzamide
CID 46461541
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide (CID 104877743) is 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCC1CCCC1.
What is the InChIKey of 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide?
The InChIKey is UEEANZNZMZTZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-14-8-7-12(18(20)21)10-13(14)15(19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,19).
What are the key properties of 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide?
2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide is sourced from PubChem (CID 104877743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).