1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium

C20H29N2O+ — CID 9032231

IUPAC1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
SMILESC[C@@H](NC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-14(18-5-3-2-4-6-18)22-19(23)13-21-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17,21H,7-13H2,1H3,(H,22,23)/p+1/t14-,15?,16?,17?,20?/m1/s1
InChIKeyGHQDCMLLQVRFFY-ZIUDEIKKSA-O
MW313.46 g/mol
LogP2.40
Rot. Bonds5

About 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium

1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium (PubChem CID 9032231) has the molecular formula C20H29N2O+ and a molecular weight of 313.46 g/mol. Its IUPAC name is 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
PubChem CID9032231
Molecular FormulaC20H29N2O+
Molecular Weight313.46 g/mol
Exact Mass313.23
IUPAC Name1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
SMILESC[C@@H](NC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-14(18-5-3-2-4-6-18)22-19(23)13-21-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17,21H,7-13H2,1H3,(H,22,23)/p+1/t14-,15?,16?,17?,20?/m1/s1
InChIKeyGHQDCMLLQVRFFY-ZIUDEIKKSA-O
XLogP2.40
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium with MolForge

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Related Compounds

1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9131705
N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897653
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7303372
2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 9032634

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium?
The IUPAC name of 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium (CID 9032231) is 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium.
What is the SMILES notation for 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium?
The canonical SMILES for 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium is C[C@@H](NC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium?
The InChIKey is GHQDCMLLQVRFFY-ZIUDEIKKSA-O. The full InChI is InChI=1S/C20H28N2O/c1-14(18-5-3-2-4-6-18)22-19(23)13-21-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17,21H,7-13H2,1H3,(H,22,23)/p+1/t14-,15?,16?,17?,20?/m1/s1.
What are the key properties of 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium?
1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium has a molecular weight of 313.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium is sourced from PubChem (CID 9032231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).