N,2-bis(1-adamantyl)acetamide

C22H33NO — CID 3906383

IUPACN,2-bis(1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NO/c24-20(13-21-7-14-1-15(8-21)3-16(2-14)9-21)23-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19H,1-13H2,(H,23,24)
InChIKeyBRRPODXVMIZFMU-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.68
Rot. Bonds3

About N,2-bis(1-adamantyl)acetamide

N,2-bis(1-adamantyl)acetamide (PubChem CID 3906383) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is N,2-bis(1-adamantyl)acetamide.

Molecular Properties

Compound NameN,2-bis(1-adamantyl)acetamide
PubChem CID3906383
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC NameN,2-bis(1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NO/c24-20(13-21-7-14-1-15(8-21)3-16(2-14)9-21)23-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19H,1-13H2,(H,23,24)
InChIKeyBRRPODXVMIZFMU-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 131919775
1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81164145
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
N-(1-adamantyl)hexanamide
CID 4687392
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
N-(1-adamantyl)nonanamide
CID 4685611
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424

Frequently Asked Questions

What is the IUPAC name of N,2-bis(1-adamantyl)acetamide?
The IUPAC name of N,2-bis(1-adamantyl)acetamide (CID 3906383) is N,2-bis(1-adamantyl)acetamide.
What is the SMILES notation for N,2-bis(1-adamantyl)acetamide?
The canonical SMILES for N,2-bis(1-adamantyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,2-bis(1-adamantyl)acetamide?
The InChIKey is BRRPODXVMIZFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c24-20(13-21-7-14-1-15(8-21)3-16(2-14)9-21)23-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19H,1-13H2,(H,23,24).
What are the key properties of N,2-bis(1-adamantyl)acetamide?
N,2-bis(1-adamantyl)acetamide has a molecular weight of 327.51 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(1-adamantyl)acetamide is sourced from PubChem (CID 3906383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).