N-(1-adamantyl)-4-phenylbutanamide

C20H27NO — CID 2907426

IUPACN-(1-adamantyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO/c22-19(8-4-7-15-5-2-1-3-6-15)21-20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2,(H,21,22)
InChIKeyZOPQBPNVFWRFSI-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.09
Rot. Bonds5

About N-(1-adamantyl)-4-phenylbutanamide

N-(1-adamantyl)-4-phenylbutanamide (PubChem CID 2907426) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(1-adamantyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-phenylbutanamide
PubChem CID2907426
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-(1-adamantyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO/c22-19(8-4-7-15-5-2-1-3-6-15)21-20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2,(H,21,22)
InChIKeyZOPQBPNVFWRFSI-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-phenylbutanamide?
The IUPAC name of N-(1-adamantyl)-4-phenylbutanamide (CID 2907426) is N-(1-adamantyl)-4-phenylbutanamide.
What is the SMILES notation for N-(1-adamantyl)-4-phenylbutanamide?
The canonical SMILES for N-(1-adamantyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-phenylbutanamide?
The InChIKey is ZOPQBPNVFWRFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c22-19(8-4-7-15-5-2-1-3-6-15)21-20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2,(H,21,22).
What are the key properties of N-(1-adamantyl)-4-phenylbutanamide?
N-(1-adamantyl)-4-phenylbutanamide has a molecular weight of 297.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-phenylbutanamide is sourced from PubChem (CID 2907426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).