N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide

C20H24N2O — CID 7689203

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2O/c1-13(22-19(23)18-4-2-14(12-21)3-5-18)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,13,15-17H,6-11H2,1H3,(H,22,23)/t13-,15?,16?,17?,20?/m1/s1
InChIKeyCBTRPEUKGUQZMA-SFAMEIPESA-N
MW308.42 g/mol
LogP3.89
Rot. Bonds3

About N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide

N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide (PubChem CID 7689203) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
PubChem CID7689203
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2O/c1-13(22-19(23)18-4-2-14(12-21)3-5-18)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,13,15-17H,6-11H2,1H3,(H,22,23)/t13-,15?,16?,17?,20?/m1/s1
InChIKeyCBTRPEUKGUQZMA-SFAMEIPESA-N
XLogP3.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-(1-adamantyl)ethyl]-4-nitrobenzamide
CID 7331710
N-[1-(1-adamantyl)ethyl]-2-(4-cyanophenoxy)propanamide
CID 55329308
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
N-[(1S)-1-(1-adamantyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 7689154
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
CID 7309799
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
N-[1-(1-adamantyl)ethyl]-N'-(4-aminobenzoyl)oxamide
CID 108509154
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylbenzamide
CID 3608533

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide (CID 7689203) is N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide is C[C@@H](NC(=O)c1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide?
The InChIKey is CBTRPEUKGUQZMA-SFAMEIPESA-N. The full InChI is InChI=1S/C20H24N2O/c1-13(22-19(23)18-4-2-14(12-21)3-5-18)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,13,15-17H,6-11H2,1H3,(H,22,23)/t13-,15?,16?,17?,20?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide?
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide has a molecular weight of 308.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide is sourced from PubChem (CID 7689203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).