N-(1-adamantyl)-3-(propan-2-ylamino)propanamide

C16H28N2O — CID 60852695

IUPACN-(1-adamantyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-11(2)17-4-3-15(19)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyWTNKUVYIJJJWQU-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.46
Rot. Bonds5

About N-(1-adamantyl)-3-(propan-2-ylamino)propanamide

N-(1-adamantyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60852695) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(propan-2-ylamino)propanamide
PubChem CID60852695
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(1-adamantyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-11(2)17-4-3-15(19)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyWTNKUVYIJJJWQU-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(1-adamantyl)-3-(propan-2-ylamino)propanamide (CID 60852695) is N-(1-adamantyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(1-adamantyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(1-adamantyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is WTNKUVYIJJJWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)17-4-3-15(19)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-3-(propan-2-ylamino)propanamide?
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 264.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).