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

C14H23ClN2O2 — CID 63307969

IUPAC4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)CCCCl)o1
InChIInChI=1S/C14H23ClN2O2/c1-12-6-7-13(19-12)11-17(10-9-16(2)3)14(18)5-4-8-15/h6-7H,4-5,8-11H2,1-3H3
InChIKeyCEDUVTGAOLDRGA-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.50
Rot. Bonds8

About 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide

4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide (PubChem CID 63307969) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
PubChem CID63307969
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)CCCCl)o1
InChIInChI=1S/C14H23ClN2O2/c1-12-6-7-13(19-12)11-17(10-9-16(2)3)14(18)5-4-8-15/h6-7H,4-5,8-11H2,1-3H3
InChIKeyCEDUVTGAOLDRGA-UHFFFAOYSA-N
XLogP2.50
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
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
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
3-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propane-1-sulfonamide
CID 60959199
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide (CID 63307969) is 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide is Cc1ccc(CN(CCN(C)C)C(=O)CCCCl)o1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
The InChIKey is CEDUVTGAOLDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-12-6-7-13(19-12)11-17(10-9-16(2)3)14(18)5-4-8-15/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide?
4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide has a molecular weight of 286.80 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide is sourced from PubChem (CID 63307969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).