[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

C20H34N3O2+ — CID 8834303

IUPAC[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)NC(=O)NC(C)C)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-7-15(6)16-8-10-17(11-9-16)19(13(2)3)21-12-18(24)23-20(25)22-14(4)5/h8-11,13-15,19,21H,7,12H2,1-6H3,(H2,22,23,24,25)/p+1/t15-,19-/m1/s1
InChIKeyZYTBVPIYTBUMAC-DNVCBOLYSA-O
MW348.51 g/mol
LogP2.69
Rot. Bonds8

About [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (PubChem CID 8834303) has the molecular formula C20H34N3O2+ and a molecular weight of 348.51 g/mol. Its IUPAC name is [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
PubChem CID8834303
Molecular FormulaC20H34N3O2+
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC Name[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)NC(=O)NC(C)C)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-7-15(6)16-8-10-17(11-9-16)19(13(2)3)21-12-18(24)23-20(25)22-14(4)5/h8-11,13-15,19,21H,7,12H2,1-6H3,(H2,22,23,24,25)/p+1/t15-,19-/m1/s1
InChIKeyZYTBVPIYTBUMAC-DNVCBOLYSA-O
XLogP2.69
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium with MolForge

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Related Compounds

[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
CID 8834429
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8834655
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834546
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9132326
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133689
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923649
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
CID 8834662
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132137
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132135
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]azanium
CID 8834270

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The IUPAC name of [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (CID 8834303) is [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The canonical SMILES for [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)NC(=O)NC(C)C)C(C)C)cc1.
What is the InChIKey of [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The InChIKey is ZYTBVPIYTBUMAC-DNVCBOLYSA-O. The full InChI is InChI=1S/C20H33N3O2/c1-7-15(6)16-8-10-17(11-9-16)19(13(2)3)21-12-18(24)23-20(25)22-14(4)5/h8-11,13-15,19,21H,7,12H2,1-6H3,(H2,22,23,24,25)/p+1/t15-,19-/m1/s1.
What are the key properties of [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium has a molecular weight of 348.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8834303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).