N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide

C16H25N3O3 — CID 108523741

IUPACN'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H25N3O3/c1-18(2)10-6-9-17-15(21)16(22)19(11-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,20H,6,9-13H2,1-2H3,(H,17,21)
InChIKeyBQZIHILKEGAAQA-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.08
Rot. Bonds8

About N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide

N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide (PubChem CID 108523741) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
PubChem CID108523741
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H25N3O3/c1-18(2)10-6-9-17-15(21)16(22)19(11-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,20H,6,9-13H2,1-2H3,(H,17,21)
InChIKeyBQZIHILKEGAAQA-UHFFFAOYSA-N
XLogP0.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245
N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
CID 108518765
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524
2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995244
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide (CID 108523741) is N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide is CN(C)CCCNC(=O)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide?
The InChIKey is BQZIHILKEGAAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18(2)10-6-9-17-15(21)16(22)19(11-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,20H,6,9-13H2,1-2H3,(H,17,21).
What are the key properties of N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide?
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide has a molecular weight of 307.39 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108523741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).