N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide

C12H19NO2 — CID 2970515

IUPACN-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C12H19NO2/c1-8-10(6-7-15-8)11(14)13-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,13,14)
InChIKeyRGDQHHATFFDSSG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.75
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 2970515) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
PubChem CID2970515
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C12H19NO2/c1-8-10(6-7-15-8)11(14)13-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,13,14)
InChIKeyRGDQHHATFFDSSG-UHFFFAOYSA-N
XLogP2.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
2-methyl-1-(2-methylfuran-3-yl)propan-1-one
CID 104789309
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 109389252
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
CID 7809092
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 104829925

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide (CID 2970515) is N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is RGDQHHATFFDSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-10(6-7-15-8)11(14)13-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2970515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).