[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium

C20H30N3O3+ — CID 8921741

IUPAC[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1
InChIInChI=1S/C20H29N3O3/c1-12(17-4-3-5-26-17)21-13(2)18(24)22-19(25)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,12-16,21H,6-11H2,1-2H3,(H2,22,23,24,25)/p+1/t12-,13+,14?,15?,16?,20?/m0/s1
InChIKeyWMFQHVRZTHKQHI-NSYBLIORSA-O
MW360.48 g/mol
LogP2.09
Rot. Bonds5

About [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium

[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8921741) has the molecular formula C20H30N3O3+ and a molecular weight of 360.48 g/mol. Its IUPAC name is [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
PubChem CID8921741
Molecular FormulaC20H30N3O3+
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1
InChIInChI=1S/C20H29N3O3/c1-12(17-4-3-5-26-17)21-13(2)18(24)22-19(25)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,12-16,21H,6-11H2,1-2H3,(H2,22,23,24,25)/p+1/t12-,13+,14?,15?,16?,20?/m0/s1
InChIKeyWMFQHVRZTHKQHI-NSYBLIORSA-O
XLogP2.09
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium with MolForge

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Related Compounds

[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9348784
(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9348849
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9334846
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 8646258
(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755398
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-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9347931
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 9347687
(2S)-N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9345941

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium (CID 8921741) is [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium is C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1.
What is the InChIKey of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is WMFQHVRZTHKQHI-NSYBLIORSA-O. The full InChI is InChI=1S/C20H29N3O3/c1-12(17-4-3-5-26-17)21-13(2)18(24)22-19(25)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,12-16,21H,6-11H2,1-2H3,(H2,22,23,24,25)/p+1/t12-,13+,14?,15?,16?,20?/m0/s1.
What are the key properties of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 360.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8921741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).