N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide

C17H22N2O3 — CID 17451443

IUPACN-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCCOCc2ccco2)cc1
InChIInChI=1S/C17H22N2O3/c1-14(20)19-16-7-5-15(6-8-16)12-18-9-3-10-21-13-17-4-2-11-22-17/h2,4-8,11,18H,3,9-10,12-13H2,1H3,(H,19,20)
InChIKeyNUMAKUMNAWWRGY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.93
Rot. Bonds9

About N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide

N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide (PubChem CID 17451443) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
PubChem CID17451443
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCCOCc2ccco2)cc1
InChIInChI=1S/C17H22N2O3/c1-14(20)19-16-7-5-15(6-8-16)12-18-9-3-10-21-13-17-4-2-11-22-17/h2,4-8,11,18H,3,9-10,12-13H2,1H3,(H,19,20)
InChIKeyNUMAKUMNAWWRGY-UHFFFAOYSA-N
XLogP2.93
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide 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

methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 79832671
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
3-(furan-2-ylmethoxy)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102909348
N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 86996641
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide (CID 17451443) is N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCCCOCc2ccco2)cc1.
What is the InChIKey of N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide?
The InChIKey is NUMAKUMNAWWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-14(20)19-16-7-5-15(6-8-16)12-18-9-3-10-21-13-17-4-2-11-22-17/h2,4-8,11,18H,3,9-10,12-13H2,1H3,(H,19,20).
What are the key properties of N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide?
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 17451443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).