N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide

C17H34N2O4 — CID 58890570

IUPACN-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide
SMILESCCC(C)OCNC(=O)C(C)(CC)CC(C)(C)C(=O)NCOC
InChIInChI=1S/C17H34N2O4/c1-8-13(3)23-12-19-15(21)17(6,9-2)10-16(4,5)14(20)18-11-22-7/h13H,8-12H2,1-7H3,(H,18,20)(H,19,21)
InChIKeyMEGKECHMLQNTGE-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.43
Rot. Bonds11

About N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide

N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide (PubChem CID 58890570) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide.

Molecular Properties

Compound NameN-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide
PubChem CID58890570
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC NameN-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide
SMILESCCC(C)OCNC(=O)C(C)(CC)CC(C)(C)C(=O)NCOC
InChIInChI=1S/C17H34N2O4/c1-8-13(3)23-12-19-15(21)17(6,9-2)10-16(4,5)14(20)18-11-22-7/h13H,8-12H2,1-7H3,(H,18,20)(H,19,21)
InChIKeyMEGKECHMLQNTGE-UHFFFAOYSA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide?
The IUPAC name of N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide (CID 58890570) is N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide.
What is the SMILES notation for N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide?
The canonical SMILES for N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide is CCC(C)OCNC(=O)C(C)(CC)CC(C)(C)C(=O)NCOC.
What is the InChIKey of N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide?
The InChIKey is MEGKECHMLQNTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-8-13(3)23-12-19-15(21)17(6,9-2)10-16(4,5)14(20)18-11-22-7/h13H,8-12H2,1-7H3,(H,18,20)(H,19,21).
What are the key properties of N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide?
N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide has a molecular weight of 330.47 g/mol, XLogP of 2.43, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide is sourced from PubChem (CID 58890570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).