N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide

C17H22N2O2 — CID 146098369

IUPACN-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(C)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H22N2O2/c1-3-7-16(20)18-14(2)17(15-8-5-4-6-9-15)19-10-12-21-13-11-19/h4-6,8-9,14,17H,10-13H2,1-2H3,(H,18,20)
InChIKeyYHLFWYCUNREDDP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.59
Rot. Bonds4

About N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide

N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide (PubChem CID 146098369) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
PubChem CID146098369
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(C)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H22N2O2/c1-3-7-16(20)18-14(2)17(15-8-5-4-6-9-15)19-10-12-21-13-11-19/h4-6,8-9,14,17H,10-13H2,1-2H3,(H,18,20)
InChIKeyYHLFWYCUNREDDP-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.59
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

5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
5-methyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510668
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
1-(4-cyanophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934898
1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934899
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 4079061
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326068
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908520
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide?
The IUPAC name of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide (CID 146098369) is N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide is CC#CC(=O)NC(C)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide?
The InChIKey is YHLFWYCUNREDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-7-16(20)18-14(2)17(15-8-5-4-6-9-15)19-10-12-21-13-11-19/h4-6,8-9,14,17H,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide?
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide has a molecular weight of 286.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide is sourced from PubChem (CID 146098369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).