N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide

C17H20N2O3 — CID 97011203

IUPACN-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide
SMILESCC[C@H](NC(=O)C#Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O3/c1-2-15(17(21)19-10-12-22-13-11-19)18-16(20)9-8-14-6-4-3-5-7-14/h3-7,15H,2,10-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyDFBYUPLPIDBZJC-HNNXBMFYSA-N
MW300.36 g/mol
LogP0.79
Rot. Bonds3

About N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide

N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide (PubChem CID 97011203) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide
PubChem CID97011203
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide
SMILESCC[C@H](NC(=O)C#Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O3/c1-2-15(17(21)19-10-12-22-13-11-19)18-16(20)9-8-14-6-4-3-5-7-14/h3-7,15H,2,10-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyDFBYUPLPIDBZJC-HNNXBMFYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 3436159
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
1-[(3R)-4-methylpent-1-yn-3-yl]-3-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]urea
CID 100690427
4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide
CID 97007236
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
CID 84588764

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide (CID 97011203) is N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide is CC[C@H](NC(=O)C#Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide?
The InChIKey is DFBYUPLPIDBZJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-15(17(21)19-10-12-22-13-11-19)18-16(20)9-8-14-6-4-3-5-7-14/h3-7,15H,2,10-13H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide?
N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide has a molecular weight of 300.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 97011203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).