N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide

C15H23N3O2 — CID 79287585

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCN(C)C)Cc1ccc(C)o1
InChIInChI=1S/C15H23N3O2/c1-5-8-16-11-15(19)18(10-9-17(3)4)12-14-7-6-13(2)20-14/h1,6-7,16H,8-12H2,2-4H3
InChIKeyGLNGPZOOOGVAJU-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.70
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide

N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79287585) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79287585
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCN(C)C)Cc1ccc(C)o1
InChIInChI=1S/C15H23N3O2/c1-5-8-16-11-15(19)18(10-9-17(3)4)12-14-7-6-13(2)20-14/h1,6-7,16H,8-12H2,2-4H3
InChIKeyGLNGPZOOOGVAJU-UHFFFAOYSA-N
XLogP0.70
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 54873875
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63307969
N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 62559098
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
2-(2-aminoethoxy)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79474044
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287495
N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)-2-(propylamino)acetamide
CID 7347797

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide (CID 79287585) is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCN(C)C)Cc1ccc(C)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is GLNGPZOOOGVAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-8-16-11-15(19)18(10-9-17(3)4)12-14-7-6-13(2)20-14/h1,6-7,16H,8-12H2,2-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).