N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C24H34N2O2 — CID 7800864

IUPACN-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c1-15(2)21(26-22(27)20-7-5-4-6-8-20)23(28)25-16(3)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-8,15-19,21H,9-14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17?,18?,19?,21+,24?/m1/s1
InChIKeyDNYANBXDYNDVFA-LTCHJCHUSA-N
MW382.55 g/mol
LogP4.16
Rot. Bonds6

About N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 7800864) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID7800864
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c1-15(2)21(26-22(27)20-7-5-4-6-8-20)23(28)25-16(3)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-8,15-19,21H,9-14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17?,18?,19?,21+,24?/m1/s1
InChIKeyDNYANBXDYNDVFA-LTCHJCHUSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-3,4,5-trimethoxybenzamide
CID 40783712
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
2-(1-adamantyl)-2-benzamidoacetic acid
CID 2835966
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide
CID 7929301
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
methyl (2S)-2-[[(2R)-2-[[4-(1-adamantyl)benzoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CID 92654575
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 7800864) is N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is DNYANBXDYNDVFA-LTCHJCHUSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-15(2)21(26-22(27)20-7-5-4-6-8-20)23(28)25-16(3)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-8,15-19,21H,9-14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17?,18?,19?,21+,24?/m1/s1.
What are the key properties of N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 382.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 7800864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).