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

C12H16N2O2 — CID 55208257

IUPAC2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCCC(C#N)C(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C12H16N2O2/c1-4-10(7-13)12(15)14(3)8-11-6-5-9(2)16-11/h5-6,10H,4,8H2,1-3H3
InChIKeyASSIQODQAZDXMK-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.10
Rot. Bonds4

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

2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide (PubChem CID 55208257) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
PubChem CID55208257
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCCC(C#N)C(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C12H16N2O2/c1-4-10(7-13)12(15)14(3)8-11-6-5-9(2)16-11/h5-6,10H,4,8H2,1-3H3
InChIKeyASSIQODQAZDXMK-UHFFFAOYSA-N
XLogP2.10
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115188457
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]pentanoic acid
CID 63067752
methyl 3-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]butanoate
CID 115188077
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 78768708
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The IUPAC name of 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide (CID 55208257) is 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide is CCC(C#N)C(=O)N(C)Cc1ccc(C)o1.
What is the InChIKey of 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The InChIKey is ASSIQODQAZDXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-10(7-13)12(15)14(3)8-11-6-5-9(2)16-11/h5-6,10H,4,8H2,1-3H3.
What are the key properties of 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide has a molecular weight of 220.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide is sourced from PubChem (CID 55208257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).