N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide

C24H34N2O2 — CID 37365014

IUPACN-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C24H34N2O2/c1-23(2,3)22(28)25-20-7-5-6-19(11-20)21(27)26(4)15-24-12-16-8-17(13-24)10-18(9-16)14-24/h5-7,11,16-18H,8-10,12-15H2,1-4H3,(H,25,28)
InChIKeyJVHLTZURFXKTMT-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.96
Rot. Bonds4

About N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide

N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide (PubChem CID 37365014) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
PubChem CID37365014
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C24H34N2O2/c1-23(2,3)22(28)25-20-7-5-6-19(11-20)21(27)26(4)15-24-12-16-8-17(13-24)10-18(9-16)14-24/h5-7,11,16-18H,8-10,12-15H2,1-4H3,(H,25,28)
InChIKeyJVHLTZURFXKTMT-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 134027331
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 26998920
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 134020403
N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26998902
N'-(1-adamantylmethyl)-N-[3-[(4-bromobenzoyl)amino]phenyl]-N'-methyloxamide
CID 166324955
1-(1-adamantylmethyl)-3-[3-(dimethylamino)phenyl]urea
CID 108870422
3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31841528
3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46532894
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide (CID 37365014) is N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
The InChIKey is JVHLTZURFXKTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-23(2,3)22(28)25-20-7-5-6-19(11-20)21(27)26(4)15-24-12-16-8-17(13-24)10-18(9-16)14-24/h5-7,11,16-18H,8-10,12-15H2,1-4H3,(H,25,28).
What are the key properties of N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide has a molecular weight of 382.55 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide is sourced from PubChem (CID 37365014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).