(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide

C24H33N3O2 — CID 8923032

IUPAC(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-15(2)19-7-9-20(10-8-19)23(16(3)4)25-17(5)24(29)27-22-13-11-21(12-14-22)26-18(6)28/h7-17,23,25H,1-6H3,(H,26,28)(H,27,29)/t17-,23-/m1/s1
InChIKeyZYPCZVGYQICBSG-UZUQRXQVSA-N
MW395.55 g/mol
LogP5.08
Rot. Bonds8

About (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide

(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide (PubChem CID 8923032) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
PubChem CID8923032
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-15(2)19-7-9-20(10-8-19)23(16(3)4)25-17(5)24(29)27-22-13-11-21(12-14-22)26-18(6)28/h7-17,23,25H,1-6H3,(H,26,28)(H,27,29)/t17-,23-/m1/s1
InChIKeyZYPCZVGYQICBSG-UZUQRXQVSA-N
XLogP5.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097
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CID 8834174
(2R)-N-(4-chlorophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132361
2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281468
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
4-[[(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]amino]benzamide
CID 9129619
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8992451
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915654

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide (CID 8923032) is (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide?
The InChIKey is ZYPCZVGYQICBSG-UZUQRXQVSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-15(2)19-7-9-20(10-8-19)23(16(3)4)25-17(5)24(29)27-22-13-11-21(12-14-22)26-18(6)28/h7-17,23,25H,1-6H3,(H,26,28)(H,27,29)/t17-,23-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide?
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide has a molecular weight of 395.55 g/mol, XLogP of 5.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide is sourced from PubChem (CID 8923032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).