4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide

C17H20N2O4 — CID 71869864

IUPAC4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(C)(O)c2ccc(C)o2)cc1
InChIInChI=1S/C17H20N2O4/c1-11-4-9-15(23-11)17(3,22)10-18-16(21)13-5-7-14(8-6-13)19-12(2)20/h4-9,22H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyPKRGFDSYMQJACE-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.18
Rot. Bonds5

About 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide

4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide (PubChem CID 71869864) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
PubChem CID71869864
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(C)(O)c2ccc(C)o2)cc1
InChIInChI=1S/C17H20N2O4/c1-11-4-9-15(23-11)17(3,22)10-18-16(21)13-5-7-14(8-6-13)19-12(2)20/h4-9,22H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyPKRGFDSYMQJACE-UHFFFAOYSA-N
XLogP2.18
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111912208
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methoxy-4-methylbenzamide
CID 111481052
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
CID 111481159
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
CID 111481472
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111481180
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide (CID 71869864) is 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide is CC(=O)Nc1ccc(C(=O)NCC(C)(O)c2ccc(C)o2)cc1.
What is the InChIKey of 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide?
The InChIKey is PKRGFDSYMQJACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-4-9-15(23-11)17(3,22)10-18-16(21)13-5-7-14(8-6-13)19-12(2)20/h4-9,22H,10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide?
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide is sourced from PubChem (CID 71869864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).