(2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride

C23H31ClN2O2 — CID 159122628

IUPAC(2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride
SMILESCc1ccc(C(C)C)c(C(=O)CC[C@@H](NC(=O)[C@@H](C)N)c2ccccc2)c1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-15(2)19-11-10-16(3)14-20(19)22(26)13-12-21(25-23(27)17(4)24)18-8-6-5-7-9-18;/h5-11,14-15,17,21H,12-13,24H2,1-4H3,(H,25,27);1H/t17-,21-;/m1./s1
InChIKeySWSROYLXINQUQM-AYCGRUCCSA-N
MW402.97 g/mol
LogP4.71
Rot. Bonds8

About (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride

(2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride (PubChem CID 159122628) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride
PubChem CID159122628
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC Name(2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride
SMILESCc1ccc(C(C)C)c(C(=O)CC[C@@H](NC(=O)[C@@H](C)N)c2ccccc2)c1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-15(2)19-11-10-16(3)14-20(19)22(26)13-12-21(25-23(27)17(4)24)18-8-6-5-7-9-18;/h5-11,14-15,17,21H,12-13,24H2,1-4H3,(H,25,27);1H/t17-,21-;/m1./s1
InChIKeySWSROYLXINQUQM-AYCGRUCCSA-N
XLogP4.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride with MolForge

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Related Compounds

tert-butyl N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]carbamate
CID 159715005
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
[(2R)-1-[[(1S)-2-[(5-methyl-2-propan-2-ylbenzoyl)amino]-1-phenylethyl]amino]-1-oxopropan-2-yl]azanium chloride
CID 146220128
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(2R)-2-amino-N-[(1R,5E)-6,10-dimethyl-4-oxo-1-phenylundeca-5,9-dienyl]propanamide;hydrochloride
CID 158937327
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]-4-phenylbutanoic acid
CID 120686336
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid
CID 61162447

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride (CID 159122628) is (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride is Cc1ccc(C(C)C)c(C(=O)CC[C@@H](NC(=O)[C@@H](C)N)c2ccccc2)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride?
The InChIKey is SWSROYLXINQUQM-AYCGRUCCSA-N. The full InChI is InChI=1S/C23H30N2O2.ClH/c1-15(2)19-11-10-16(3)14-20(19)22(26)13-12-21(25-23(27)17(4)24)18-8-6-5-7-9-18;/h5-11,14-15,17,21H,12-13,24H2,1-4H3,(H,25,27);1H/t17-,21-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]propanamide;hydrochloride is sourced from PubChem (CID 159122628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).