N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide

C22H41N3O4 — CID 135141214

IUPACN-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide
SMILESC=NNC(=O)CCOCCOCCNC(=O)C1CCCCCCCCCCCC1
InChIInChI=1S/C22H41N3O4/c1-23-25-21(26)14-16-28-18-19-29-17-15-24-22(27)20-12-10-8-6-4-2-3-5-7-9-11-13-20/h20H,1-19H2,(H,24,27)(H,25,26)
InChIKeyDOWSZLJQMVZJQW-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.57
Rot. Bonds11

About N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide

N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide (PubChem CID 135141214) has the molecular formula C22H41N3O4 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide
PubChem CID135141214
Molecular FormulaC22H41N3O4
Molecular Weight411.59 g/mol
Exact Mass411.31
IUPAC NameN-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide
SMILESC=NNC(=O)CCOCCOCCNC(=O)C1CCCCCCCCCCCC1
InChIInChI=1S/C22H41N3O4/c1-23-25-21(26)14-16-28-18-19-29-17-15-24-22(27)20-12-10-8-6-4-2-3-5-7-9-11-13-20/h20H,1-19H2,(H,24,27)(H,25,26)
InChIKeyDOWSZLJQMVZJQW-UHFFFAOYSA-N
XLogP3.57
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816782
N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-(methylideneamino)cyclopentanecarboxamide
CID 161304719
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
N-propylcyclooctanecarboxamide
CID 65022755
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide?
The IUPAC name of N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide (CID 135141214) is N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide.
What is the SMILES notation for N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide?
The canonical SMILES for N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide is C=NNC(=O)CCOCCOCCNC(=O)C1CCCCCCCCCCCC1.
What is the InChIKey of N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide?
The InChIKey is DOWSZLJQMVZJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O4/c1-23-25-21(26)14-16-28-18-19-29-17-15-24-22(27)20-12-10-8-6-4-2-3-5-7-9-11-13-20/h20H,1-19H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide?
N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide has a molecular weight of 411.59 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide is sourced from PubChem (CID 135141214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).