N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide

C15H19N3O4 — CID 6916225

IUPACN-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
SMILESCC1CCC/C(=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H19N3O4/c1-11-3-2-4-12(9-11)16-17-15(19)10-22-14-7-5-13(6-8-14)18(20)21/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)/b16-12-
InChIKeyPBCGLBYHHRNGCZ-VBKFSLOCSA-N
MW305.33 g/mol
LogP2.66
Rot. Bonds5

About N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide

N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide (PubChem CID 6916225) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
PubChem CID6916225
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
SMILESCC1CCC/C(=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H19N3O4/c1-11-3-2-4-12(9-11)16-17-15(19)10-22-14-7-5-13(6-8-14)18(20)21/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)/b16-12-
InChIKeyPBCGLBYHHRNGCZ-VBKFSLOCSA-N
XLogP2.66
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 5428311
N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6384661
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 5419189
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
CID 7530082
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 4196468
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
2-(4-cyanophenoxy)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9316535

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide (CID 6916225) is N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide is CC1CCC/C(=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is PBCGLBYHHRNGCZ-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-11-3-2-4-12(9-11)16-17-15(19)10-22-14-7-5-13(6-8-14)18(20)21/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)/b16-12-.
What are the key properties of N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide?
N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 305.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 6916225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).