N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide

C19H28N4O3 — CID 7644877

IUPACN'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C19H28N4O3/c1-4-9-20-18(24)19(25)21-14-17(23-10-12-26-13-11-23)15-5-7-16(8-6-15)22(2)3/h4-8,17H,1,9-14H2,2-3H3,(H,20,24)(H,21,25)/t17-/m1/s1
InChIKeyJPFQBSYIKHIKAL-QGZVFWFLSA-N
MW360.46 g/mol
LogP0.54
Rot. Bonds7

About N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide

N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide (PubChem CID 7644877) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
PubChem CID7644877
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C19H28N4O3/c1-4-9-20-18(24)19(25)21-14-17(23-10-12-26-13-11-23)15-5-7-16(8-6-15)22(2)3/h4-8,17H,1,9-14H2,2-3H3,(H,20,24)(H,21,25)/t17-/m1/s1
InChIKeyJPFQBSYIKHIKAL-QGZVFWFLSA-N
XLogP0.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 7644835
N'-(4-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583635
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 7644897
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 7644864
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18583629
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 7645008
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
2-(4-acetylpiperazin-1-yl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-oxoacetamide
CID 7192728
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774053
N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583650

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide (CID 7644877) is N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1.
What is the InChIKey of N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The InChIKey is JPFQBSYIKHIKAL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-9-20-18(24)19(25)21-14-17(23-10-12-26-13-11-23)15-5-7-16(8-6-15)22(2)3/h4-8,17H,1,9-14H2,2-3H3,(H,20,24)(H,21,25)/t17-/m1/s1.
What are the key properties of N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide has a molecular weight of 360.46 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 7644877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).