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

C17H26N4O2 — CID 7639168

IUPACN'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C17H26N4O2/c1-6-11-18-16(22)17(23)19-12-15(21(4)5)13-7-9-14(10-8-13)20(2)3/h6-10,15H,1,11-12H2,2-5H3,(H,18,22)(H,19,23)/t15-/m1/s1
InChIKeyIYAPCGUZAFXCRK-OAHLLOKOSA-N
MW318.42 g/mol
LogP0.77
Rot. Bonds7

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

N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide (PubChem CID 7639168) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
PubChem CID7639168
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C17H26N4O2/c1-6-11-18-16(22)17(23)19-12-15(21(4)5)13-7-9-14(10-8-13)20(2)3/h6-10,15H,1,11-12H2,2-5H3,(H,18,22)(H,19,23)/t15-/m1/s1
InChIKeyIYAPCGUZAFXCRK-OAHLLOKOSA-N
XLogP0.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 9159524
N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639297
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639141
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-N-prop-2-enyloxamide
CID 7644876
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
CID 16891475
1-tert-butyl-3-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]urea
CID 7496154
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 16875563
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 7639329
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide (CID 7639168) is N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C.
What is the InChIKey of N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide?
The InChIKey is IYAPCGUZAFXCRK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-6-11-18-16(22)17(23)19-12-15(21(4)5)13-7-9-14(10-8-13)20(2)3/h6-10,15H,1,11-12H2,2-5H3,(H,18,22)(H,19,23)/t15-/m1/s1.
What are the key properties of N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide?
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide has a molecular weight of 318.42 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 7639168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).