N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide

C21H24N2O3 — CID 9470610

IUPACN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-22-21(26)15(2)23-20(25)14-13-19(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyKPOVMLYOJZLXIM-HNNXBMFYSA-N
MW352.43 g/mol
LogP2.96
Rot. Bonds8

About N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 9470610) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID9470610
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-22-21(26)15(2)23-20(25)14-13-19(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyKPOVMLYOJZLXIM-HNNXBMFYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide with MolForge

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Related Compounds

4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971401
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 8750784
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
CID 9333199
4-ethylsulfanyl-2-[(4-oxo-4-phenylbutanoyl)amino]butanoic acid
CID 108744572
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376
N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide
CID 163430114

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide (CID 9470610) is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide is CCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is KPOVMLYOJZLXIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-22-21(26)15(2)23-20(25)14-13-19(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,26)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 352.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 9470610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).