N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide

C11H17NO5 — CID 170831484

IUPACN-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide
SMILESCOCc1ccc(C(O)C(O)CNC(C)=O)o1
InChIInChI=1S/C11H17NO5/c1-7(13)12-5-9(14)11(15)10-4-3-8(17-10)6-16-2/h3-4,9,11,14-15H,5-6H2,1-2H3,(H,12,13)
InChIKeyBPYINZQWQCNSOU-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.04
Rot. Bonds6

About N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide

N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide (PubChem CID 170831484) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide
PubChem CID170831484
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC NameN-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide
SMILESCOCc1ccc(C(O)C(O)CNC(C)=O)o1
InChIInChI=1S/C11H17NO5/c1-7(13)12-5-9(14)11(15)10-4-3-8(17-10)6-16-2/h3-4,9,11,14-15H,5-6H2,1-2H3,(H,12,13)
InChIKeyBPYINZQWQCNSOU-UHFFFAOYSA-N
XLogP-0.04
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate
CID 170835599
N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide
CID 170829666
benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate
CID 171857346
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
N-[3-(2-amino-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830174
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
methyl 5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]furan-2-carboxylate
CID 171855884
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830543
N-[3-(6-amino-2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830131
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
N-[3-(4-amino-2-fluoro-3-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830083

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide (CID 170831484) is N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide is COCc1ccc(C(O)C(O)CNC(C)=O)o1.
What is the InChIKey of N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide?
The InChIKey is BPYINZQWQCNSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-7(13)12-5-9(14)11(15)10-4-3-8(17-10)6-16-2/h3-4,9,11,14-15H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide?
N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide has a molecular weight of 243.26 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide is sourced from PubChem (CID 170831484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).