N'-(2-adamantyl)-N-cyclopropylpentanediamide

C18H28N2O2 — CID 45272362

IUPACN'-(2-adamantyl)-N-cyclopropylpentanediamide
SMILESO=C(CCCC(=O)NC1C2CC3CC(C2)CC1C3)NC1CC1
InChIInChI=1S/C18H28N2O2/c21-16(19-15-4-5-15)2-1-3-17(22)20-18-13-7-11-6-12(9-13)10-14(18)8-11/h11-15,18H,1-10H2,(H,19,21)(H,20,22)
InChIKeyZNGMSCZQJRTVLR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.38
Rot. Bonds6

About N'-(2-adamantyl)-N-cyclopropylpentanediamide

N'-(2-adamantyl)-N-cyclopropylpentanediamide (PubChem CID 45272362) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N'-(2-adamantyl)-N-cyclopropylpentanediamide.

Molecular Properties

Compound NameN'-(2-adamantyl)-N-cyclopropylpentanediamide
PubChem CID45272362
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN'-(2-adamantyl)-N-cyclopropylpentanediamide
SMILESO=C(CCCC(=O)NC1C2CC3CC(C2)CC1C3)NC1CC1
InChIInChI=1S/C18H28N2O2/c21-16(19-15-4-5-15)2-1-3-17(22)20-18-13-7-11-6-12(9-13)10-14(18)8-11/h11-15,18H,1-10H2,(H,19,21)(H,20,22)
InChIKeyZNGMSCZQJRTVLR-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-adamantyl)-N-cyclopropylpentanediamide?
The IUPAC name of N'-(2-adamantyl)-N-cyclopropylpentanediamide (CID 45272362) is N'-(2-adamantyl)-N-cyclopropylpentanediamide.
What is the SMILES notation for N'-(2-adamantyl)-N-cyclopropylpentanediamide?
The canonical SMILES for N'-(2-adamantyl)-N-cyclopropylpentanediamide is O=C(CCCC(=O)NC1C2CC3CC(C2)CC1C3)NC1CC1.
What is the InChIKey of N'-(2-adamantyl)-N-cyclopropylpentanediamide?
The InChIKey is ZNGMSCZQJRTVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-16(19-15-4-5-15)2-1-3-17(22)20-18-13-7-11-6-12(9-13)10-14(18)8-11/h11-15,18H,1-10H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2-adamantyl)-N-cyclopropylpentanediamide?
N'-(2-adamantyl)-N-cyclopropylpentanediamide has a molecular weight of 304.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-adamantyl)-N-cyclopropylpentanediamide is sourced from PubChem (CID 45272362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).