[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium

C23H34N3O2+ — CID 9347931

IUPAC[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N3O2/c1-15-6-4-5-7-20(15)14-26(3)16(2)21(27)24-22(28)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,16-19H,8-14H2,1-3H3,(H2,24,25,27,28)/p+1/t16-,17?,18?,19?,23?/m1/s1
InChIKeyWVRWCGHQAMGLPZ-DNBYOKIBSA-O
MW384.54 g/mol
LogP2.19
Rot. Bonds5

About [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium

[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 9347931) has the molecular formula C23H34N3O2+ and a molecular weight of 384.54 g/mol. Its IUPAC name is [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID9347931
Molecular FormulaC23H34N3O2+
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N3O2/c1-15-6-4-5-7-20(15)14-26(3)16(2)21(27)24-22(28)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,16-19H,8-14H2,1-3H3,(H2,24,25,27,28)/p+1/t16-,17?,18?,19?,23?/m1/s1
InChIKeyWVRWCGHQAMGLPZ-DNBYOKIBSA-O
XLogP2.19
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 9347687
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium
CID 8803529
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8790839
N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654880
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9348239
(2S)-N-(1-adamantylcarbamoyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9345957
(2R)-N-(1-adamantylcarbamoyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9345960
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123694
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9348784
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8515355
N-(1-adamantylcarbamoyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55364697

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium (CID 9347931) is [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH+](C)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is WVRWCGHQAMGLPZ-DNBYOKIBSA-O. The full InChI is InChI=1S/C23H33N3O2/c1-15-6-4-5-7-20(15)14-26(3)16(2)21(27)24-22(28)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,16-19H,8-14H2,1-3H3,(H2,24,25,27,28)/p+1/t16-,17?,18?,19?,23?/m1/s1.
What are the key properties of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 384.54 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 9347931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).