N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide

C18H28N2O2 — CID 100726781

IUPACN-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
SMILESCCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C18H28N2O2/c1-5-9-17(21)20(15(4)18(22)19-14(2)3)13-12-16-10-7-6-8-11-16/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H,19,22)/t15-/m0/s1
InChIKeyQLGRIYMNQCJZRJ-HNNXBMFYSA-N
MW304.43 g/mol
LogP2.77
Rot. Bonds8

About N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide

N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide (PubChem CID 100726781) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
PubChem CID100726781
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
SMILESCCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C18H28N2O2/c1-5-9-17(21)20(15(4)18(22)19-14(2)3)13-12-16-10-7-6-8-11-16/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H,19,22)/t15-/m0/s1
InChIKeyQLGRIYMNQCJZRJ-HNNXBMFYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726790
N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132649959
(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721031
(2S)-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100725909
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 132658025
(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727038
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727006
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660432
2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 100636510

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
The IUPAC name of N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide (CID 100726781) is N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide is CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C.
What is the InChIKey of N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
The InChIKey is QLGRIYMNQCJZRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-9-17(21)20(15(4)18(22)19-14(2)3)13-12-16-10-7-6-8-11-16/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide has a molecular weight of 304.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 100726781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).