N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide

C11H17NO3 — CID 112605133

IUPACN-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
SMILESCc1ccc(CNC(=O)COC(C)C)o1
InChIInChI=1S/C11H17NO3/c1-8(2)14-7-11(13)12-6-10-5-4-9(3)15-10/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyTVLKFDYMHIUOAE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.63
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide

N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 112605133) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
PubChem CID112605133
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
SMILESCc1ccc(CNC(=O)COC(C)C)o1
InChIInChI=1S/C11H17NO3/c1-8(2)14-7-11(13)12-6-10-5-4-9(3)15-10/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyTVLKFDYMHIUOAE-UHFFFAOYSA-N
XLogP1.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 82012174
2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62525022
methyl 2-[(5-methylfuran-2-yl)methylamino]-2-oxoacetate
CID 112617149
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
N-[[4-(bromomethyl)phenyl]methyl]-2-propan-2-yloxyacetamide
CID 107233774
N-[(2-ethylphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112692670
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide (CID 112605133) is N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide is Cc1ccc(CNC(=O)COC(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is TVLKFDYMHIUOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(2)14-7-11(13)12-6-10-5-4-9(3)15-10/h4-5,8H,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide?
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 211.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112605133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).