2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide

C20H27ClN2O — CID 7666468

IUPAC2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c(Cl)c1
InChIInChI=1S/C20H27ClN2O/c1-12-3-13(2)19(17(21)4-12)23-18(24)11-22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16,22H,5-11H2,1-2H3,(H,23,24)
InChIKeyQUTATPYQATXGHX-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.45
Rot. Bonds4

About 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 7666468) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID7666468
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c(Cl)c1
InChIInChI=1S/C20H27ClN2O/c1-12-3-13(2)19(17(21)4-12)23-18(24)11-22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16,22H,5-11H2,1-2H3,(H,23,24)
InChIKeyQUTATPYQATXGHX-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108896066
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
CID 9032255
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 98318791
2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 42908083
(5R,7R)-3-chloro-N-(2-chloro-4,6-dimethylphenyl)adamantane-1-carboxamide
CID 98385692
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 7666468) is 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c(Cl)c1.
What is the InChIKey of 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is QUTATPYQATXGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-12-3-13(2)19(17(21)4-12)23-18(24)11-22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16,22H,5-11H2,1-2H3,(H,23,24).
What are the key properties of 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 346.90 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 7666468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).