N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide

C22H37N5O3 — CID 7644835

IUPACN-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C22H37N5O3/c1-5-26(6-2)12-11-23-21(28)22(29)24-17-20(27-13-15-30-16-14-27)18-7-9-19(10-8-18)25(3)4/h7-10,20H,5-6,11-17H2,1-4H3,(H,23,28)(H,24,29)/t20-/m1/s1
InChIKeyMSEJTCHAUOFZOB-HXUWFJFHSA-N
MW419.57 g/mol
LogP0.70
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide

N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide (PubChem CID 7644835) has the molecular formula C22H37N5O3 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
PubChem CID7644835
Molecular FormulaC22H37N5O3
Molecular Weight419.57 g/mol
Exact Mass419.29
IUPAC NameN-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C22H37N5O3/c1-5-26(6-2)12-11-23-21(28)22(29)24-17-20(27-13-15-30-16-14-27)18-7-9-19(10-8-18)25(3)4/h7-10,20H,5-6,11-17H2,1-4H3,(H,23,28)(H,24,29)/t20-/m1/s1
InChIKeyMSEJTCHAUOFZOB-HXUWFJFHSA-N
XLogP0.70
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
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-(2-phenylethyl)oxamide
CID 7645008
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 43996700
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide
CID 7496635
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]-2-methylpropanamide
CID 7496860
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N'-(3,4-dimethylphenyl)oxamide
CID 7192699
2-(4-acetylpiperazin-1-yl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-oxoacetamide
CID 7192728

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide (CID 7644835) is N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide is CCN(CC)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
The InChIKey is MSEJTCHAUOFZOB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H37N5O3/c1-5-26(6-2)12-11-23-21(28)22(29)24-17-20(27-13-15-30-16-14-27)18-7-9-19(10-8-18)25(3)4/h7-10,20H,5-6,11-17H2,1-4H3,(H,23,28)(H,24,29)/t20-/m1/s1.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide has a molecular weight of 419.57 g/mol, XLogP of 0.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 7644835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).