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

C13H22N2O2 — CID 76893225

IUPAC2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CN(C)C(=O)C(N)C(C)(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-9-6-7-10(17-9)8-15(5)12(16)11(14)13(2,3)4/h6-7,11H,8,14H2,1-5H3
InChIKeyVEKZRDOWAZGVIA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds3

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

2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide (PubChem CID 76893225) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
PubChem CID76893225
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CN(C)C(=O)C(N)C(C)(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-9-6-7-10(17-9)8-15(5)12(16)11(14)13(2,3)4/h6-7,11H,8,14H2,1-5H3
InChIKeyVEKZRDOWAZGVIA-UHFFFAOYSA-N
XLogP1.92
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide 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

(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 103929276
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
methyl 3-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]butanoate
CID 115188077
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 78768708
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43526164

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The IUPAC name of 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide (CID 76893225) is 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide is Cc1ccc(CN(C)C(=O)C(N)C(C)(C)C)o1.
What is the InChIKey of 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
The InChIKey is VEKZRDOWAZGVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-6-7-10(17-9)8-15(5)12(16)11(14)13(2,3)4/h6-7,11H,8,14H2,1-5H3.
What are the key properties of 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide?
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide is sourced from PubChem (CID 76893225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).