2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide

C11H18N2O2 — CID 43400024

IUPAC2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(CNCC(=O)NC(C)C)o1
InChIInChI=1S/C11H18N2O2/c1-8(2)13-11(14)7-12-6-10-5-4-9(3)15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyQJHNREHNZWDSQH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.20
Rot. Bonds5

About 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide

2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide (PubChem CID 43400024) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
PubChem CID43400024
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(CNCC(=O)NC(C)C)o1
InChIInChI=1S/C11H18N2O2/c1-8(2)13-11(14)7-12-6-10-5-4-9(3)15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyQJHNREHNZWDSQH-UHFFFAOYSA-N
XLogP1.20
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 62524546
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389
(Z)-3-methyl-4-[(5-methylfuran-2-yl)methylamino]but-2-enoic acid
CID 103249273
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712
2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 62523523
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-2-carboxylic acid
CID 113409692
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide (CID 43400024) is 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide is Cc1ccc(CNCC(=O)NC(C)C)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is QJHNREHNZWDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)13-11(14)7-12-6-10-5-4-9(3)15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide?
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 210.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43400024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).