[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium

C24H34N3O2+ — CID 8970393

IUPAC[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
SMILESCCCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-6-7-19-8-10-20(11-9-19)23(16(2)3)25-17(4)24(29)27-22-14-12-21(13-15-22)26-18(5)28/h8-17,23,25H,6-7H2,1-5H3,(H,26,28)(H,27,29)/p+1/t17-,23+/m1/s1
InChIKeyNLFQFLCWZLCVJZ-HXOBKFHXSA-O
MW396.56 g/mol
LogP3.89
Rot. Bonds9

About [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium (PubChem CID 8970393) has the molecular formula C24H34N3O2+ and a molecular weight of 396.56 g/mol. Its IUPAC name is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
PubChem CID8970393
Molecular FormulaC24H34N3O2+
Molecular Weight396.56 g/mol
Exact Mass396.26
IUPAC Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
SMILESCCCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-6-7-19-8-10-20(11-9-19)23(16(2)3)25-17(4)24(29)27-22-14-12-21(13-15-22)26-18(5)28/h8-17,23,25H,6-7H2,1-5H3,(H,26,28)(H,27,29)/p+1/t17-,23+/m1/s1
InChIKeyNLFQFLCWZLCVJZ-HXOBKFHXSA-O
XLogP3.89
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium with MolForge

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Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
CID 8834176
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 26531464
[(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8998517
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
2-amino-3-methyl-N-(4-propylphenyl)butanamide
CID 43378687
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9451661
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 9129750
2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
CID 177180405
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium?
The IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium (CID 8970393) is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium.
What is the SMILES notation for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium?
The canonical SMILES for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium is CCCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)cc1.
What is the InChIKey of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium?
The InChIKey is NLFQFLCWZLCVJZ-HXOBKFHXSA-O. The full InChI is InChI=1S/C24H33N3O2/c1-6-7-19-8-10-20(11-9-19)23(16(2)3)25-17(4)24(29)27-22-14-12-21(13-15-22)26-18(5)28/h8-17,23,25H,6-7H2,1-5H3,(H,26,28)(H,27,29)/p+1/t17-,23+/m1/s1.
What are the key properties of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium?
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium has a molecular weight of 396.56 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium is sourced from PubChem (CID 8970393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).