[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium

C22H30N3O2+ — CID 8767219

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-16(25(5)15-20(26)24-22(2,3)4)21(27)23-19-14-10-9-13-18(19)17-11-7-6-8-12-17/h6-14,16H,15H2,1-5H3,(H,23,27)(H,24,26)/p+1/t16-/m1/s1
InChIKeyZZUZLMFYYCTLFN-MRXNPFEDSA-O
MW368.50 g/mol
LogP2.11
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium (PubChem CID 8767219) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
PubChem CID8767219
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-16(25(5)15-20(26)24-22(2,3)4)21(27)23-19-14-10-9-13-18(19)17-11-7-6-8-12-17/h6-14,16H,15H2,1-5H3,(H,23,27)(H,24,26)/p+1/t16-/m1/s1
InChIKeyZZUZLMFYYCTLFN-MRXNPFEDSA-O
XLogP2.11
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8767300
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
CID 8767340
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 9433216
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8767336
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8767377
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate
CID 11500814
N-(tert-butylcarbamoyl)-2-(2-phenylanilino)acetamide
CID 42068095
[2-(tert-butylamino)-2-oxoethyl]-[(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-methylazanium
CID 8767719
[2-(tert-butylamino)-2-oxoethyl]-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]-methylazanium
CID 8766730

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium (CID 8767219) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium is C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
The InChIKey is ZZUZLMFYYCTLFN-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-16(25(5)15-20(26)24-22(2,3)4)21(27)23-19-14-10-9-13-18(19)17-11-7-6-8-12-17/h6-14,16H,15H2,1-5H3,(H,23,27)(H,24,26)/p+1/t16-/m1/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium has a molecular weight of 368.50 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium is sourced from PubChem (CID 8767219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).