(3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide

C19H26N2O3 — CID 99941731

IUPAC(3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide
SMILESCCOc1ccc(-c2ccc(CN(C)[C@H](C)CC(=O)NC)o2)cc1
InChIInChI=1S/C19H26N2O3/c1-5-23-16-8-6-15(7-9-16)18-11-10-17(24-18)13-21(4)14(2)12-19(22)20-3/h6-11,14H,5,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyPFPGLJSBGZYNBP-CQSZACIVSA-N
MW330.43 g/mol
LogP3.30
Rot. Bonds8

About (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide

(3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide (PubChem CID 99941731) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide
PubChem CID99941731
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide
SMILESCCOc1ccc(-c2ccc(CN(C)[C@H](C)CC(=O)NC)o2)cc1
InChIInChI=1S/C19H26N2O3/c1-5-23-16-8-6-15(7-9-16)18-11-10-17(24-18)13-21(4)14(2)12-19(22)20-3/h6-11,14H,5,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyPFPGLJSBGZYNBP-CQSZACIVSA-N
XLogP3.30
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide?
The IUPAC name of (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide (CID 99941731) is (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide is CCOc1ccc(-c2ccc(CN(C)[C@H](C)CC(=O)NC)o2)cc1.
What is the InChIKey of (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide?
The InChIKey is PFPGLJSBGZYNBP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-23-16-8-6-15(7-9-16)18-11-10-17(24-18)13-21(4)14(2)12-19(22)20-3/h6-11,14H,5,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide?
(3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide has a molecular weight of 330.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 99941731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).