N-(1-adamantyl)-2-(propan-2-ylamino)acetamide

C15H26N2O — CID 2870224

IUPACN-(1-adamantyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-10(2)16-9-14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyWOKTYNVVHGAEIB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds4

About N-(1-adamantyl)-2-(propan-2-ylamino)acetamide

N-(1-adamantyl)-2-(propan-2-ylamino)acetamide (PubChem CID 2870224) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(propan-2-ylamino)acetamide
PubChem CID2870224
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(1-adamantyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-10(2)16-9-14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyWOKTYNVVHGAEIB-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide (CID 2870224) is N-(1-adamantyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is WOKTYNVVHGAEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)16-9-14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide?
N-(1-adamantyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 250.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 2870224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).