N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide

C15H19N3O4 — CID 6384661

IUPACN-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide
SMILESCCC1CCC/C1=N\NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c1-2-11-4-3-5-14(11)16-17-15(19)10-22-13-8-6-12(7-9-13)18(20)21/h6-9,11H,2-5,10H2,1H3,(H,17,19)/b16-14+
InChIKeyBNMIFRKMNBJBBA-JQIJEIRASA-N
MW305.33 g/mol
LogP2.66
Rot. Bonds6

About N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide

N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide (PubChem CID 6384661) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide
PubChem CID6384661
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide
SMILESCCC1CCC/C1=N\NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c1-2-11-4-3-5-14(11)16-17-15(19)10-22-13-8-6-12(7-9-13)18(20)21/h6-9,11H,2-5,10H2,1H3,(H,17,19)/b16-14+
InChIKeyBNMIFRKMNBJBBA-JQIJEIRASA-N
XLogP2.66
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6916225
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
CID 3307043
N-[(2-ethylcyclopentylidene)amino]-2-(4-methoxyphenyl)acetamide
CID 4506010
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
CID 115880765
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 7929758

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide (CID 6384661) is N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide is CCC1CCC/C1=N\NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is BNMIFRKMNBJBBA-JQIJEIRASA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-11-4-3-5-14(11)16-17-15(19)10-22-13-8-6-12(7-9-13)18(20)21/h6-9,11H,2-5,10H2,1H3,(H,17,19)/b16-14+.
What are the key properties of N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide?
N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 305.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 6384661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).