2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide

C13H16N4O5 — CID 17066729

IUPAC2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
SMILESO=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N4O5/c18-13(8-14-9-3-1-2-4-9)15-11-6-5-10(16(19)20)7-12(11)17(21)22/h5-7,9,14H,1-4,8H2,(H,15,18)
InChIKeySLMSUWYQDZENQV-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.97
Rot. Bonds6

About 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide

2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide (PubChem CID 17066729) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
PubChem CID17066729
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
SMILESO=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N4O5/c18-13(8-14-9-3-1-2-4-9)15-11-6-5-10(16(19)20)7-12(11)17(21)22/h5-7,9,14H,1-4,8H2,(H,15,18)
InChIKeySLMSUWYQDZENQV-UHFFFAOYSA-N
XLogP1.97
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
CID 9265553
(2,4-dinitrophenyl)carbamic acid
CID 154114547
1-N,3-N-bis(2,4-dinitrophenyl)cyclohexane-1,3-diamine
CID 155539944
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
N-[(2,4-dinitrophenyl)methyl]cyclohexanamine
CID 66223052

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide (CID 17066729) is 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide is O=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide?
The InChIKey is SLMSUWYQDZENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5/c18-13(8-14-9-3-1-2-4-9)15-11-6-5-10(16(19)20)7-12(11)17(21)22/h5-7,9,14H,1-4,8H2,(H,15,18).
What are the key properties of 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide?
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide has a molecular weight of 308.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide is sourced from PubChem (CID 17066729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).