N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide

C18H24N2O3 — CID 54824768

IUPACN-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H24N2O3/c1-14(2)8-10-23-16-6-3-5-15(11-16)19-13-18(21)20-12-17-7-4-9-22-17/h3-7,9,11,14,19H,8,10,12-13H2,1-2H3,(H,20,21)
InChIKeyDNXREWOPWSVNPX-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.43
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide

N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide (PubChem CID 54824768) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide
PubChem CID54824768
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H24N2O3/c1-14(2)8-10-23-16-6-3-5-15(11-16)19-13-18(21)20-12-17-7-4-9-22-17/h3-7,9,11,14,19H,8,10,12-13H2,1-2H3,(H,20,21)
InChIKeyDNXREWOPWSVNPX-UHFFFAOYSA-N
XLogP3.43
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54824747
N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
CID 4981718
N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843077
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide (CID 54824768) is N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide is CC(C)CCOc1cccc(NCC(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The InChIKey is DNXREWOPWSVNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(2)8-10-23-16-6-3-5-15(11-16)19-13-18(21)20-12-17-7-4-9-22-17/h3-7,9,11,14,19H,8,10,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide has a molecular weight of 316.40 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54824768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).