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

C11H18N2O2 — CID 62834819

IUPAC3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCCNCCC(=O)NCc1ccc(C)o1
InChIInChI=1S/C11H18N2O2/c1-3-12-7-6-11(14)13-8-10-5-4-9(2)15-10/h4-5,12H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyMWFCKXBLTQXLMJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.20
Rot. Bonds6

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

3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 62834819) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID62834819
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCCNCCC(=O)NCc1ccc(C)o1
InChIInChI=1S/C11H18N2O2/c1-3-12-7-6-11(14)13-8-10-5-4-9(2)15-10/h4-5,12H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyMWFCKXBLTQXLMJ-UHFFFAOYSA-N
XLogP1.20
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 82012174
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
CID 62525074
1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea
CID 25119845
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
CID 3397094
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
CID 62832866
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170893
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 62834819) is 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide is CCNCCC(=O)NCc1ccc(C)o1.
What is the InChIKey of 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is MWFCKXBLTQXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-12-7-6-11(14)13-8-10-5-4-9(2)15-10/h4-5,12H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 62834819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).