N-(furan-2-ylmethyl)-3-hydroxypropanamide

C8H11NO3 — CID 82111306

IUPACN-(furan-2-ylmethyl)-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccco1
InChIInChI=1S/C8H11NO3/c10-4-3-8(11)9-6-7-2-1-5-12-7/h1-2,5,10H,3-4,6H2,(H,9,11)
InChIKeyVKIANBPSFWKNQH-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.28
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-hydroxypropanamide

N-(furan-2-ylmethyl)-3-hydroxypropanamide (PubChem CID 82111306) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-hydroxypropanamide
PubChem CID82111306
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-(furan-2-ylmethyl)-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccco1
InChIInChI=1S/C8H11NO3/c10-4-3-8(11)9-6-7-2-1-5-12-7/h1-2,5,10H,3-4,6H2,(H,9,11)
InChIKeyVKIANBPSFWKNQH-UHFFFAOYSA-N
XLogP0.28
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide
CID 123117257
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-(furan-2-ylmethyl)acetamide
CID 2394850
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-hydroxypropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-hydroxypropanamide (CID 82111306) is N-(furan-2-ylmethyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-hydroxypropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-hydroxypropanamide is O=C(CCO)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-hydroxypropanamide?
The InChIKey is VKIANBPSFWKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-4-3-8(11)9-6-7-2-1-5-12-7/h1-2,5,10H,3-4,6H2,(H,9,11).
What are the key properties of N-(furan-2-ylmethyl)-3-hydroxypropanamide?
N-(furan-2-ylmethyl)-3-hydroxypropanamide has a molecular weight of 169.18 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-hydroxypropanamide is sourced from PubChem (CID 82111306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).