N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide

C20H29N3O4 — CID 4569271

IUPACN-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1
InChIInChI=1S/C20H29N3O4/c24-20(16-27-19-15-11-10-14-18(19)23(25)26)22-21-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15H,1-9,12-13,16H2,(H,22,24)
InChIKeyXTNUZXLRQCELAZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.75
Rot. Bonds5

About N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide

N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide (PubChem CID 4569271) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
PubChem CID4569271
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1
InChIInChI=1S/C20H29N3O4/c24-20(16-27-19-15-11-10-14-18(19)23(25)26)22-21-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15H,1-9,12-13,16H2,(H,22,24)
InChIKeyXTNUZXLRQCELAZ-UHFFFAOYSA-N
XLogP4.75
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.75
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-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5243847
N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785656
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 9467244
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5062453
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-(2-nitrophenoxy)cycloheptanimine
CID 54392329
2-(2-nitrophenoxy)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 26157880

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide (CID 4569271) is N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1.
What is the InChIKey of N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide?
The InChIKey is XTNUZXLRQCELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c24-20(16-27-19-15-11-10-14-18(19)23(25)26)22-21-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15H,1-9,12-13,16H2,(H,22,24).
What are the key properties of N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide?
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 4569271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).