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

C13H20N2O2 — CID 54875839

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CCN(C)C)Cc1ccc(C)o1
InChIInChI=1S/C13H20N2O2/c1-5-13(16)15(9-8-14(3)4)10-12-7-6-11(2)17-12/h5-7H,1,8-10H2,2-4H3
InChIKeyMPRYKUYRTSDAQC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.66
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (PubChem CID 54875839) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
PubChem CID54875839
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CCN(C)C)Cc1ccc(C)o1
InChIInChI=1S/C13H20N2O2/c1-5-13(16)15(9-8-14(3)4)10-12-7-6-11(2)17-12/h5-7H,1,8-10H2,2-4H3
InChIKeyMPRYKUYRTSDAQC-UHFFFAOYSA-N
XLogP1.66
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
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
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062
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
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide
CID 60558279
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210136
N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide
CID 78949596
N-[2-(dimethylamino)ethyl]-2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79379409

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (CID 54875839) is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is C=CC(=O)N(CCN(C)C)Cc1ccc(C)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The InChIKey is MPRYKUYRTSDAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-13(16)15(9-8-14(3)4)10-12-7-6-11(2)17-12/h5-7H,1,8-10H2,2-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide has a molecular weight of 236.31 g/mol, XLogP of 1.66, 6 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]prop-2-enamide is sourced from PubChem (CID 54875839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).