N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide

C14H24N2O2 — CID 52726689

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCCCC(=O)N(CCN(C)C)Cc1ccc(C)o1
InChIInChI=1S/C14H24N2O2/c1-5-6-14(17)16(10-9-15(3)4)11-13-8-7-12(2)18-13/h7-8H,5-6,9-11H2,1-4H3
InChIKeyXKDVBLTVAYCOPZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide

N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide (PubChem CID 52726689) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
PubChem CID52726689
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCCCC(=O)N(CCN(C)C)Cc1ccc(C)o1
InChIInChI=1S/C14H24N2O2/c1-5-6-14(17)16(10-9-15(3)4)11-13-8-7-12(2)18-13/h7-8H,5-6,9-11H2,1-4H3
InChIKeyXKDVBLTVAYCOPZ-UHFFFAOYSA-N
XLogP2.28
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63307969
2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 54873875
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278
2-(2-aminoethoxy)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79474044
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287585
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide
CID 60558279
4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210136

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide (CID 52726689) is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide is CCCC(=O)N(CCN(C)C)Cc1ccc(C)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
The InChIKey is XKDVBLTVAYCOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-6-14(17)16(10-9-15(3)4)11-13-8-7-12(2)18-13/h7-8H,5-6,9-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide is sourced from PubChem (CID 52726689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).