N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide

C17H31N3O2 — CID 59639258

IUPACN,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide
SMILESCCN=C=NCCCC1(CC(=O)N(CC)CC)CCOCC1
InChIInChI=1S/C17H31N3O2/c1-4-18-15-19-11-7-8-17(9-12-22-13-10-17)14-16(21)20(5-2)6-3/h4-14H2,1-3H3
InChIKeyKKUBKIPXSXJQBW-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.02
Rot. Bonds9

About N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide

N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide (PubChem CID 59639258) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide
PubChem CID59639258
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide
SMILESCCN=C=NCCCC1(CC(=O)N(CC)CC)CCOCC1
InChIInChI=1S/C17H31N3O2/c1-4-18-15-19-11-7-8-17(9-12-22-13-10-17)14-16(21)20(5-2)6-3/h4-14H2,1-3H3
InChIKeyKKUBKIPXSXJQBW-UHFFFAOYSA-N
XLogP3.02
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide (CID 59639258) is N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide is CCN=C=NCCCC1(CC(=O)N(CC)CC)CCOCC1.
What is the InChIKey of N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide?
The InChIKey is KKUBKIPXSXJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-18-15-19-11-7-8-17(9-12-22-13-10-17)14-16(21)20(5-2)6-3/h4-14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide?
N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide has a molecular weight of 309.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[3-(ethyliminomethylideneamino)propyl]oxan-4-yl]acetamide is sourced from PubChem (CID 59639258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).