3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide

C11H18N2O2 — CID 103699283

IUPAC3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide
SMILESCc1ccoc1CNC(C(N)=O)C(C)C
InChIInChI=1S/C11H18N2O2/c1-7(2)10(11(12)14)13-6-9-8(3)4-5-15-9/h4-5,7,10,13H,6H2,1-3H3,(H2,12,14)
InChIKeyQHPZZBKKWULKNP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.19
Rot. Bonds5

About 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide

3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide (PubChem CID 103699283) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide
PubChem CID103699283
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide
SMILESCc1ccoc1CNC(C(N)=O)C(C)C
InChIInChI=1S/C11H18N2O2/c1-7(2)10(11(12)14)13-6-9-8(3)4-5-15-9/h4-5,7,10,13H,6H2,1-3H3,(H2,12,14)
InChIKeyQHPZZBKKWULKNP-UHFFFAOYSA-N
XLogP1.19
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
methyl 2-[(3-bromofuran-2-yl)methylamino]-3-methylbutanoate
CID 103275052
methyl (2S)-2-[(3-bromofuran-2-yl)methylamino]-3-methylbutanoate
CID 106885193
2-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103237953
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide
CID 103699286
tert-butyl N-[3-methyl-2-[(3-methylfuran-2-yl)methylamino]butyl]carbamate
CID 107254248
(3-methylfuran-2-yl)methylthiourea
CID 130597728
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
4-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]benzoic acid
CID 106344350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide?
The IUPAC name of 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide (CID 103699283) is 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide?
The canonical SMILES for 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide is Cc1ccoc1CNC(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide?
The InChIKey is QHPZZBKKWULKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)10(11(12)14)13-6-9-8(3)4-5-15-9/h4-5,7,10,13H,6H2,1-3H3,(H2,12,14).
What are the key properties of 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide?
3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide has a molecular weight of 210.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide is sourced from PubChem (CID 103699283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).