3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide

C11H17NO2 — CID 110731621

IUPAC3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CC(C)C)o1
InChIInChI=1S/C11H17NO2/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyWHHKQZZHZJAJRG-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.25
Rot. Bonds4

About 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide

3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide (PubChem CID 110731621) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
PubChem CID110731621
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CC(C)C)o1
InChIInChI=1S/C11H17NO2/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyWHHKQZZHZJAJRG-UHFFFAOYSA-N
XLogP2.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 82012174
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
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
methyl 2-[(5-methylfuran-2-yl)methylamino]-2-oxoacetate
CID 112617149
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 131949848
2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63613534
1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea
CID 25119845
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide (CID 110731621) is 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide is Cc1ccc(CNC(=O)CC(C)C)o1.
What is the InChIKey of 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The InChIKey is WHHKQZZHZJAJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-5,8H,6-7H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide has a molecular weight of 195.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide is sourced from PubChem (CID 110731621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).