2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide

C15H24ClNO — CID 79999964

IUPAC2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide
SMILESCC(Cl)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H24ClNO/c1-10(16)12(18)17-15-6-11-4-13(2,8-15)7-14(3,5-11)9-15/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyRKZUYBQDTUZKQK-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide

2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide (PubChem CID 79999964) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide
PubChem CID79999964
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide
SMILESCC(Cl)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H24ClNO/c1-10(16)12(18)17-15-6-11-4-13(2,8-15)7-14(3,5-11)9-15/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyRKZUYBQDTUZKQK-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79997650
3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998241
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
CID 79988898
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
2-acetamido-N,2-bis(3,5-dimethyl-1-adamantyl)acetamide
CID 130442767
N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
CID 4606569
N-(3,5-dimethyl-1-adamantyl)adamantane-1-carboxamide
CID 171577279
1-[(3,5-dimethyl-1-adamantyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79987587
2-cyano-N-(3,5-dimethyl-1-adamantyl)acetamide
CID 79997839
4-chloro-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]butanamide
CID 71514006
methyl 3-[(3,5-dimethyl-1-adamantyl)amino]-2-methylbutanoate
CID 103740781
1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea
CID 27233877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide (CID 79999964) is 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide is CC(Cl)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide?
The InChIKey is RKZUYBQDTUZKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(16)12(18)17-15-6-11-4-13(2,8-15)7-14(3,5-11)9-15/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide?
2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide has a molecular weight of 269.82 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide is sourced from PubChem (CID 79999964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).