2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide

C14H23NO2 — CID 64593208

IUPAC2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)C(C)(C)C)C(C)C)o1
InChIInChI=1S/C14H23NO2/c1-10(2)15(13(16)14(4,5)6)9-12-8-7-11(3)17-12/h7-8,10H,9H2,1-6H3
InChIKeyNWKJGQDGSFMVGF-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.37
Rot. Bonds3

About 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide

2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 64593208) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID64593208
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)C(C)(C)C)C(C)C)o1
InChIInChI=1S/C14H23NO2/c1-10(2)15(13(16)14(4,5)6)9-12-8-7-11(3)17-12/h7-8,10H,9H2,1-6H3
InChIKeyNWKJGQDGSFMVGF-UHFFFAOYSA-N
XLogP3.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 62847266
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
CID 61068434
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 107074573
1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 115435030
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 115497521
2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 55081016
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 66010634

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide (CID 64593208) is 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide is Cc1ccc(CN(C(=O)C(C)(C)C)C(C)C)o1.
What is the InChIKey of 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is NWKJGQDGSFMVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)15(13(16)14(4,5)6)9-12-8-7-11(3)17-12/h7-8,10H,9H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide?
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 237.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 64593208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).