2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide

C16H20N2O2 — CID 43683738

IUPAC2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
SMILESCc1ccc(CNc2ccc(NC(=O)C(C)C)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-11(2)16(19)18-14-7-5-13(6-8-14)17-10-15-9-4-12(3)20-15/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyIMCNLBIAWRGBDC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide

2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide (PubChem CID 43683738) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
PubChem CID43683738
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
SMILESCc1ccc(CNc2ccc(NC(=O)C(C)C)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-11(2)16(19)18-14-7-5-13(6-8-14)17-10-15-9-4-12(3)20-15/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyIMCNLBIAWRGBDC-UHFFFAOYSA-N
XLogP3.79
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453
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2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
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2-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone
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2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
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CID 62524542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide (CID 43683738) is 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide is Cc1ccc(CNc2ccc(NC(=O)C(C)C)cc2)o1.
What is the InChIKey of 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide?
The InChIKey is IMCNLBIAWRGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)16(19)18-14-7-5-13(6-8-14)17-10-15-9-4-12(3)20-15/h4-9,11,17H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide?
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 43683738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).