[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium

C22H31N2O2+ — CID 2455381

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@H](O)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-15(2)18-11-8-12-19(16(3)4)22(18)24-21(26)14-23-13-20(25)17-9-6-5-7-10-17/h5-12,15-16,20,23,25H,13-14H2,1-4H3,(H,24,26)/p+1/t20-/m0/s1
InChIKeyLNZPRRDDFWZSLE-FQEVSTJZSA-O
MW355.50 g/mol
LogP3.17
Rot. Bonds8

About [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium (PubChem CID 2455381) has the molecular formula C22H31N2O2+ and a molecular weight of 355.50 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium
PubChem CID2455381
Molecular FormulaC22H31N2O2+
Molecular Weight355.50 g/mol
Exact Mass355.24
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@H](O)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-15(2)18-11-8-12-19(16(3)4)22(18)24-21(26)14-23-13-20(25)17-9-6-5-7-10-17/h5-12,15-16,20,23,25H,13-14H2,1-4H3,(H,24,26)/p+1/t20-/m0/s1
InChIKeyLNZPRRDDFWZSLE-FQEVSTJZSA-O
XLogP3.17
TPSA65.94 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9131757
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9170013
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7574872
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium (CID 2455381) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium is CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@H](O)c1ccccc1.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium?
The InChIKey is LNZPRRDDFWZSLE-FQEVSTJZSA-O. The full InChI is InChI=1S/C22H30N2O2/c1-15(2)18-11-8-12-19(16(3)4)22(18)24-21(26)14-23-13-20(25)17-9-6-5-7-10-17/h5-12,15-16,20,23,25H,13-14H2,1-4H3,(H,24,26)/p+1/t20-/m0/s1.
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium has a molecular weight of 355.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium is sourced from PubChem (CID 2455381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).