N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide

C19H25NO4 — CID 111446659

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C19H25NO4/c1-4-14(2)19(3,22)13-20-18(21)17-15(10-11-23-17)12-24-16-8-6-5-7-9-16/h5-11,14,22H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyDAOXZHGYKHNUPB-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.39
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 111446659) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID111446659
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C19H25NO4/c1-4-14(2)19(3,22)13-20-18(21)17-15(10-11-23-17)12-24-16-8-6-5-7-9-16/h5-11,14,22H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyDAOXZHGYKHNUPB-UHFFFAOYSA-N
XLogP3.39
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 42931673
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide (CID 111446659) is N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide is CCC(C)C(C)(O)CNC(=O)c1occc1COc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is DAOXZHGYKHNUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-4-14(2)19(3,22)13-20-18(21)17-15(10-11-23-17)12-24-16-8-6-5-7-9-16/h5-11,14,22H,4,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 111446659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).