N-(1-adamantyl)-2-phenylbutanamide

C20H27NO — CID 2886576

IUPACN-(1-adamantyl)-2-phenylbutanamide
SMILESCCC(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H27NO/c1-2-18(17-6-4-3-5-7-17)19(22)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h3-7,14-16,18H,2,8-13H2,1H3,(H,21,22)
InChIKeyLUGMDFYPNDHZQY-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.27
Rot. Bonds4

About N-(1-adamantyl)-2-phenylbutanamide

N-(1-adamantyl)-2-phenylbutanamide (PubChem CID 2886576) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(1-adamantyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-phenylbutanamide
PubChem CID2886576
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-(1-adamantyl)-2-phenylbutanamide
SMILESCCC(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H27NO/c1-2-18(17-6-4-3-5-7-17)19(22)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h3-7,14-16,18H,2,8-13H2,1H3,(H,21,22)
InChIKeyLUGMDFYPNDHZQY-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-phenylbutanamide?
The IUPAC name of N-(1-adamantyl)-2-phenylbutanamide (CID 2886576) is N-(1-adamantyl)-2-phenylbutanamide.
What is the SMILES notation for N-(1-adamantyl)-2-phenylbutanamide?
The canonical SMILES for N-(1-adamantyl)-2-phenylbutanamide is CCC(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(1-adamantyl)-2-phenylbutanamide?
The InChIKey is LUGMDFYPNDHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-18(17-6-4-3-5-7-17)19(22)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h3-7,14-16,18H,2,8-13H2,1H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-2-phenylbutanamide?
N-(1-adamantyl)-2-phenylbutanamide has a molecular weight of 297.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-phenylbutanamide is sourced from PubChem (CID 2886576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).