N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide

C12H19NO3 — CID 121145448

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
SMILESCOC(CNC(=O)CC(C)C)c1ccco1
InChIInChI=1S/C12H19NO3/c1-9(2)7-12(14)13-8-11(15-3)10-5-4-6-16-10/h4-6,9,11H,7-8H2,1-3H3,(H,13,14)
InChIKeyIOUITYMIUJWGJV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide

N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide (PubChem CID 121145448) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
PubChem CID121145448
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
SMILESCOC(CNC(=O)CC(C)C)c1ccco1
InChIInChI=1S/C12H19NO3/c1-9(2)7-12(14)13-8-11(15-3)10-5-4-6-16-10/h4-6,9,11H,7-8H2,1-3H3,(H,13,14)
InChIKeyIOUITYMIUJWGJV-UHFFFAOYSA-N
XLogP2.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
N-[2-(furan-2-yl)-2-methoxyethyl]-2-(4-phenylphenyl)acetamide
CID 121145554
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99876519
2,6-difluoro-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145483
N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
CID 121145514
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
N-[(2S)-2-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-3-methylbutanamide
CID 7525522
1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99876553

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide (CID 121145448) is N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide is COC(CNC(=O)CC(C)C)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide?
The InChIKey is IOUITYMIUJWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(2)7-12(14)13-8-11(15-3)10-5-4-6-16-10/h4-6,9,11H,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide?
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide has a molecular weight of 225.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide is sourced from PubChem (CID 121145448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).