(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide

C24H30N2O2 — CID 8755398

IUPAC(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H30N2O2/c1-16(25-22(21-8-5-9-28-21)20-6-3-2-4-7-20)23(27)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-9,16-19,22,25H,10-15H2,1H3,(H,26,27)/t16-,17?,18?,19?,22+,24?/m0/s1
InChIKeyBYHTWWBUXMWXFD-PYXPVNFYSA-N
MW378.52 g/mol
LogP4.43
Rot. Bonds6

About (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide

(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide (PubChem CID 8755398) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
PubChem CID8755398
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H30N2O2/c1-16(25-22(21-8-5-9-28-21)20-6-3-2-4-7-20)23(27)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-9,16-19,22,25H,10-15H2,1H3,(H,26,27)/t16-,17?,18?,19?,22+,24?/m0/s1
InChIKeyBYHTWWBUXMWXFD-PYXPVNFYSA-N
XLogP4.43
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide with MolForge

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Related Compounds

N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24539621
(2R)-N-(1-adamantylcarbamoyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9345960
(2S)-N-(1-adamantylcarbamoyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9345957
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763
(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 8755326
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264
N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8921741
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide (CID 8755398) is (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide is C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The InChIKey is BYHTWWBUXMWXFD-PYXPVNFYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-16(25-22(21-8-5-9-28-21)20-6-3-2-4-7-20)23(27)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-9,16-19,22,25H,10-15H2,1H3,(H,26,27)/t16-,17?,18?,19?,22+,24?/m0/s1.
What are the key properties of (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide has a molecular weight of 378.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide is sourced from PubChem (CID 8755398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).