(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide

C23H33NO — CID 7929301

IUPAC(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H33NO/c1-3-7-21(20-8-5-4-6-9-20)22(25)24-16(2)23-13-17-10-18(14-23)12-19(11-17)15-23/h4-6,8-9,16-19,21H,3,7,10-15H2,1-2H3,(H,24,25)/t16-,17?,18?,19?,21-,23?/m1/s1
InChIKeyOVLAVFYNMTUFPL-HUIQTFQGSA-N
MW339.52 g/mol
LogP5.29
Rot. Bonds6

About (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide

(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide (PubChem CID 7929301) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide
PubChem CID7929301
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H33NO/c1-3-7-21(20-8-5-4-6-9-20)22(25)24-16(2)23-13-17-10-18(14-23)12-19(11-17)15-23/h4-6,8-9,16-19,21H,3,7,10-15H2,1-2H3,(H,24,25)/t16-,17?,18?,19?,21-,23?/m1/s1
InChIKeyOVLAVFYNMTUFPL-HUIQTFQGSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7800864
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061
N-[1-(1-adamantyl)ethyl]-2-(benzenesulfonamido)-4-methylsulfanylbutanamide
CID 112789579
N-[1-(1-adamantyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2922015
N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide
CID 108509082
4-[1-(1-adamantyl)ethylamino]-3-amino-4-oxobutanoic acid
CID 64896630
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7929651
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
CID 108866526
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
CID 31195240
N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide?
The IUPAC name of (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide (CID 7929301) is (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide is CCC[C@@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide?
The InChIKey is OVLAVFYNMTUFPL-HUIQTFQGSA-N. The full InChI is InChI=1S/C23H33NO/c1-3-7-21(20-8-5-4-6-9-20)22(25)24-16(2)23-13-17-10-18(14-23)12-19(11-17)15-23/h4-6,8-9,16-19,21H,3,7,10-15H2,1-2H3,(H,24,25)/t16-,17?,18?,19?,21-,23?/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide?
(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide has a molecular weight of 339.52 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide is sourced from PubChem (CID 7929301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).