N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide

C24H33NO2 — CID 7309799

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
SMILESC[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33NO2/c1-16(24-13-17-10-18(14-24)12-19(11-17)15-24)25-23(26)20-6-8-22(9-7-20)27-21-4-2-3-5-21/h6-9,16-19,21H,2-5,10-15H2,1H3,(H,25,26)/t16-,17?,18?,19?,24?/m0/s1
InChIKeySPSFWHAUWCSMKW-RNXZQOMOSA-N
MW367.53 g/mol
LogP5.34
Rot. Bonds5

About N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide

N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide (PubChem CID 7309799) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
PubChem CID7309799
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
SMILESC[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33NO2/c1-16(24-13-17-10-18(14-24)12-19(11-17)15-24)25-23(26)20-6-8-22(9-7-20)27-21-4-2-3-5-21/h6-9,16-19,21H,2-5,10-15H2,1H3,(H,25,26)/t16-,17?,18?,19?,24?/m0/s1
InChIKeySPSFWHAUWCSMKW-RNXZQOMOSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-cyclopentyloxybenzamide
CID 98331739
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
4-cyclohexyloxy-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 75424608
N-[(1R)-1-(1-adamantyl)ethyl]-4-nitrobenzamide
CID 7331710
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N-[(1S)-1-(1-adamantyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 7689154

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide (CID 7309799) is N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide is C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide?
The InChIKey is SPSFWHAUWCSMKW-RNXZQOMOSA-N. The full InChI is InChI=1S/C24H33NO2/c1-16(24-13-17-10-18(14-24)12-19(11-17)15-24)25-23(26)20-6-8-22(9-7-20)27-21-4-2-3-5-21/h6-9,16-19,21H,2-5,10-15H2,1H3,(H,25,26)/t16-,17?,18?,19?,24?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide?
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide has a molecular weight of 367.53 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide is sourced from PubChem (CID 7309799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).