N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide

C20H34N2O2 — CID 164616312

IUPACN'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide
SMILESCC(C)CNC(=O)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c1-13(2)12-21-18(23)4-5-19(24)22-14(3)20-9-15-6-16(10-20)8-17(7-15)11-20/h13-17H,4-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMBMMZNUTAAKHTH-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.26
Rot. Bonds7

About N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide

N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide (PubChem CID 164616312) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide
PubChem CID164616312
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide
SMILESCC(C)CNC(=O)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c1-13(2)12-21-18(23)4-5-19(24)22-14(3)20-9-15-6-16(10-20)8-17(7-15)11-20/h13-17H,4-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMBMMZNUTAAKHTH-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide (CID 164616312) is N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide is CC(C)CNC(=O)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide?
The InChIKey is MBMMZNUTAAKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-13(2)12-21-18(23)4-5-19(24)22-14(3)20-9-15-6-16(10-20)8-17(7-15)11-20/h13-17H,4-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide?
N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide has a molecular weight of 334.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide is sourced from PubChem (CID 164616312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).