N-(1-adamantyl)-2-(benzhydrylamino)acetamide

C25H30N2O — CID 7971178

IUPACN-(1-adamantyl)-2-(benzhydrylamino)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O/c28-23(27-25-14-18-11-19(15-25)13-20(12-18)16-25)17-26-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,18-20,24,26H,11-17H2,(H,27,28)
InChIKeyNSMIJMBFBMRFPO-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.45
Rot. Bonds6

About N-(1-adamantyl)-2-(benzhydrylamino)acetamide

N-(1-adamantyl)-2-(benzhydrylamino)acetamide (PubChem CID 7971178) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(benzhydrylamino)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(benzhydrylamino)acetamide
PubChem CID7971178
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-(1-adamantyl)-2-(benzhydrylamino)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O/c28-23(27-25-14-18-11-19(15-25)13-20(12-18)16-25)17-26-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,18-20,24,26H,11-17H2,(H,27,28)
InChIKeyNSMIJMBFBMRFPO-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
CID 7971177
N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9335484
N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide
CID 86278018
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
2-(benzhydrylamino)-N-(dicyclopropylmethyl)acetamide
CID 29458643
(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755398
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821444
N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897653
N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223452
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(benzhydrylamino)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(benzhydrylamino)acetamide (CID 7971178) is N-(1-adamantyl)-2-(benzhydrylamino)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(benzhydrylamino)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(benzhydrylamino)acetamide is O=C(CNC(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(benzhydrylamino)acetamide?
The InChIKey is NSMIJMBFBMRFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c28-23(27-25-14-18-11-19(15-25)13-20(12-18)16-25)17-26-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,18-20,24,26H,11-17H2,(H,27,28).
What are the key properties of N-(1-adamantyl)-2-(benzhydrylamino)acetamide?
N-(1-adamantyl)-2-(benzhydrylamino)acetamide has a molecular weight of 374.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(benzhydrylamino)acetamide is sourced from PubChem (CID 7971178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).