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

C16H28N2O — CID 60853991

IUPACN-(2-adamantyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-10(2)17-4-3-15(19)18-16-13-6-11-5-12(8-13)9-14(16)7-11/h10-14,16-17H,3-9H2,1-2H3,(H,18,19)
InChIKeyXFLIYAUIHKDENL-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.32
Rot. Bonds5

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

N-(2-adamantyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60853991) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(2-adamantyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-(propan-2-ylamino)propanamide
PubChem CID60853991
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(2-adamantyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-10(2)17-4-3-15(19)18-16-13-6-11-5-12(8-13)9-14(16)7-11/h10-14,16-17H,3-9H2,1-2H3,(H,18,19)
InChIKeyXFLIYAUIHKDENL-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 879553
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
1-(2-adamantyl)-3-(3-hydroxybutyl)urea
CID 111337058
N-(3-methylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 114546265
N-(2-adamantyl)-2-methoxyacetamide
CID 24659070
3-(2-adamantylamino)-N-ethylpropanamide
CID 113409667
(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
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CID 64907400

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-adamantyl)-3-(propan-2-ylamino)propanamide (CID 60853991) is N-(2-adamantyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-adamantyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-adamantyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is XFLIYAUIHKDENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)17-4-3-15(19)18-16-13-6-11-5-12(8-13)9-14(16)7-11/h10-14,16-17H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-adamantyl)-3-(propan-2-ylamino)propanamide?
N-(2-adamantyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 264.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60853991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).