2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide

C22H32N2O — CID 7666269

IUPAC2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2O/c1-21(2,3)18-4-6-19(7-5-18)24-20(25)14-23-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,15-17,23H,8-14H2,1-3H3,(H,24,25)
InChIKeyDMSQCJVVGWFGAN-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.48
Rot. Bonds4

About 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide

2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide (PubChem CID 7666269) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
PubChem CID7666269
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2O/c1-21(2,3)18-4-6-19(7-5-18)24-20(25)14-23-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,15-17,23H,8-14H2,1-3H3,(H,24,25)
InChIKeyDMSQCJVVGWFGAN-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
CID 9032255
2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7666250
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
CID 7536728
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
2-(1-adamantylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9032292
2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 7666468
2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39083744

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide (CID 7666269) is 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is DMSQCJVVGWFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-21(2,3)18-4-6-19(7-5-18)24-20(25)14-23-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,15-17,23H,8-14H2,1-3H3,(H,24,25).
What are the key properties of 2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide?
2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 340.51 g/mol, XLogP of 4.48, 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-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 7666269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).