N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide

C21H27N3O3 — CID 16892036

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-27-19-10-6-5-9-18(19)23-21(26)20(25)22-15-7-8-16-11-13-17(14-12-16)24(2)3/h5-6,9-14H,4,7-8,15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYFRKEUIMCSOZPU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.84
Rot. Bonds8

About N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide (PubChem CID 16892036) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
PubChem CID16892036
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-27-19-10-6-5-9-18(19)23-21(26)20(25)22-15-7-8-16-11-13-17(14-12-16)24(2)3/h5-6,9-14H,4,7-8,15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYFRKEUIMCSOZPU-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide
CID 19766776
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7644813
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide (CID 16892036) is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NCCCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide?
The InChIKey is YFRKEUIMCSOZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-27-19-10-6-5-9-18(19)23-21(26)20(25)22-15-7-8-16-11-13-17(14-12-16)24(2)3/h5-6,9-14H,4,7-8,15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide has a molecular weight of 369.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 16892036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).