2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide

C16H20N2O2 — CID 75384925

IUPAC2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1CNCC(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O2/c1-12-5-3-6-13(2)15(12)10-17-11-16(19)18-9-14-7-4-8-20-14/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyGSICMDKPWXNMNY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds6

About 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide

2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 75384925) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID75384925
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1CNCC(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O2/c1-12-5-3-6-13(2)15(12)10-17-11-16(19)18-9-14-7-4-8-20-14/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyGSICMDKPWXNMNY-UHFFFAOYSA-N
XLogP2.30
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
N-[2-(dimethylamino)ethyl]-2-(furan-2-ylmethylamino)acetamide
CID 108994576
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide;oxalic acid
CID 175652948
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54818705
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide (CID 75384925) is 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide is Cc1cccc(C)c1CNCC(=O)NCc1ccco1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GSICMDKPWXNMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-5-3-6-13(2)15(12)10-17-11-16(19)18-9-14-7-4-8-20-14/h3-8,17H,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 75384925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).