3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C16H20N2O3 — CID 61093438

IUPAC3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCOc2ccccc2N)o1
InChIInChI=1S/C16H20N2O3/c1-12-7-8-13(21-12)11-18(2)16(19)9-10-20-15-6-4-3-5-14(15)17/h3-8H,9-11,17H2,1-2H3
InChIKeyTUJAEWGFLAMCJS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.60
Rot. Bonds6

About 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 61093438) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID61093438
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCOc2ccccc2N)o1
InChIInChI=1S/C16H20N2O3/c1-12-7-8-13(21-12)11-18(2)16(19)9-10-20-15-6-4-3-5-14(15)17/h3-8H,9-11,17H2,1-2H3
InChIKeyTUJAEWGFLAMCJS-UHFFFAOYSA-N
XLogP2.60
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093633
2-(2-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784513
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenylphenoxy)acetamide
CID 4786375
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 61093438) is 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCOc2ccccc2N)o1.
What is the InChIKey of 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is TUJAEWGFLAMCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-7-8-13(21-12)11-18(2)16(19)9-10-20-15-6-4-3-5-14(15)17/h3-8H,9-11,17H2,1-2H3.
What are the key properties of 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 61093438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).