[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

C24H32N3O2+ — CID 8915654

IUPAC[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+](Cc2ccc(C(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-16(2)20-7-5-19(6-8-20)15-27(23-13-14-23)17(3)24(29)26-22-11-9-21(10-12-22)25-18(4)28/h5-12,16-17,23H,13-15H2,1-4H3,(H,25,28)(H,26,29)/p+1/t17-/m1/s1
InChIKeyQAPDDNVKJSFPJI-QGZVFWFLSA-O
MW394.54 g/mol
LogP3.34
Rot. Bonds8

About [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 8915654) has the molecular formula C24H32N3O2+ and a molecular weight of 394.54 g/mol. Its IUPAC name is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID8915654
Molecular FormulaC24H32N3O2+
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+](Cc2ccc(C(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-16(2)20-7-5-19(6-8-20)15-27(23-13-14-23)17(3)24(29)26-22-11-9-21(10-12-22)25-18(4)28/h5-12,16-17,23H,13-15H2,1-4H3,(H,25,28)(H,26,29)/p+1/t17-/m1/s1
InChIKeyQAPDDNVKJSFPJI-QGZVFWFLSA-O
XLogP3.34
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915940
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905141
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905747
3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 113416059
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
CID 8923032
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 31784566
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915976
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
CID 7957948
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 8915654) is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium is CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+](Cc2ccc(C(C)C)cc2)C2CC2)cc1.
What is the InChIKey of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is QAPDDNVKJSFPJI-QGZVFWFLSA-O. The full InChI is InChI=1S/C24H31N3O2/c1-16(2)20-7-5-19(6-8-20)15-27(23-13-14-23)17(3)24(29)26-22-11-9-21(10-12-22)25-18(4)28/h5-12,16-17,23H,13-15H2,1-4H3,(H,25,28)(H,26,29)/p+1/t17-/m1/s1.
What are the key properties of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium?
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 394.54 g/mol, XLogP of 3.34, 8 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]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 8915654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).