N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide

C16H26N4O2 — CID 108522203

IUPACN-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H26N4O2/c1-5-20(6-2)11-10-17-15(21)16(22)18-13-8-7-9-14(12-13)19(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyDKXGAYRAKVBZBU-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.15
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide

N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide (PubChem CID 108522203) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
PubChem CID108522203
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H26N4O2/c1-5-20(6-2)11-10-17-15(21)16(22)18-13-8-7-9-14(12-13)19(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyDKXGAYRAKVBZBU-UHFFFAOYSA-N
XLogP1.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(dimethylamino)phenyl]-N-pentyloxamide
CID 108521710
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]oxamide
CID 108522216
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide (CID 108522203) is N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide is CCN(CC)CCNC(=O)C(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide?
The InChIKey is DKXGAYRAKVBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-20(6-2)11-10-17-15(21)16(22)18-13-8-7-9-14(12-13)19(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide?
N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide has a molecular weight of 306.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108522203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).