[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium

C23H32N3O2+ — CID 9129510

IUPAC[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-15(2)21(16-6-10-18(11-7-16)23(3,4)5)25-14-20(27)26-19-12-8-17(9-13-19)22(24)28/h6-13,15,21,25H,14H2,1-5H3,(H2,24,28)(H,26,27)/p+1/t21-/m1/s1
InChIKeyUHOXLSUHECOPFQ-OAQYLSRUSA-O
MW382.53 g/mol
LogP2.98
Rot. Bonds7

About [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium

[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium (PubChem CID 9129510) has the molecular formula C23H32N3O2+ and a molecular weight of 382.53 g/mol. Its IUPAC name is [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium
PubChem CID9129510
Molecular FormulaC23H32N3O2+
Molecular Weight382.53 g/mol
Exact Mass382.25
IUPAC Name[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-15(2)21(16-6-10-18(11-7-16)23(3,4)5)25-14-20(27)26-19-12-8-17(9-13-19)22(24)28/h6-13,15,21,25H,14H2,1-5H3,(H2,24,28)(H,26,27)/p+1/t21-/m1/s1
InChIKeyUHOXLSUHECOPFQ-OAQYLSRUSA-O
XLogP2.98
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992000
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129818
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834546
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992030
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129569
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
4-[[(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]amino]benzamide
CID 9129619
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132583
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9133344

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium (CID 9129510) is [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium is CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium?
The InChIKey is UHOXLSUHECOPFQ-OAQYLSRUSA-O. The full InChI is InChI=1S/C23H31N3O2/c1-15(2)21(16-6-10-18(11-7-16)23(3,4)5)25-14-20(27)26-19-12-8-17(9-13-19)22(24)28/h6-13,15,21,25H,14H2,1-5H3,(H2,24,28)(H,26,27)/p+1/t21-/m1/s1.
What are the key properties of [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium?
[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium has a molecular weight of 382.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9129510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).