N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide

C13H19NO4 — CID 103762487

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide
SMILESCC1(C)OCC(CNC(=O)CCc2ccco2)O1
InChIInChI=1S/C13H19NO4/c1-13(2)17-9-11(18-13)8-14-12(15)6-5-10-4-3-7-16-10/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyZDCCOUPXMCJCAN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.48
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide (PubChem CID 103762487) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide
PubChem CID103762487
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide
SMILESCC1(C)OCC(CNC(=O)CCc2ccco2)O1
InChIInChI=1S/C13H19NO4/c1-13(2)17-9-11(18-13)8-14-12(15)6-5-10-4-3-7-16-10/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyZDCCOUPXMCJCAN-UHFFFAOYSA-N
XLogP1.48
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-((1-(furan-2-yl)propan-2-yl)amino)-4-oxobutanoate
CID 49670427
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
CID 71960952
3-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35353846
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-2-methoxypropanamide
CID 75380106
3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 126830807
N-[1-(furan-2-yl)propan-2-yl]-3-(oxolan-2-yl)propanamide
CID 53519903
6-[3-(Furan-2-yl)propanoylamino]hexanoic acid
CID 4780567
4-amino-N-[3-(furan-2-yl)propyl]butanamide
CID 123274794
methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate
CID 10921781
n-(4-(Furan-2-yl)butan-2-yl)acetamide
CID 44719204
N-[2-(2-fluorophenoxy)propyl]-3-(furan-2-yl)propanamide
CID 71994306
N-[(2S)-2-(2-fluorophenoxy)propyl]-3-(furan-2-yl)propanamide
CID 97576978

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide (CID 103762487) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide is CC1(C)OCC(CNC(=O)CCc2ccco2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide?
The InChIKey is ZDCCOUPXMCJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2)17-9-11(18-13)8-14-12(15)6-5-10-4-3-7-16-10/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide has a molecular weight of 253.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 103762487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).