N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide

C15H17NO5 — CID 58868501

IUPACN-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide
SMILESCC(=O)NCC(O)CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H17NO5/c1-10(17)16-9-12(18)6-7-20-13-4-2-11-3-5-15(19)21-14(11)8-13/h2-5,8,12,18H,6-7,9H2,1H3,(H,16,17)
InChIKeyLLICPSZDSXUCAJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.06
Rot. Bonds6

About N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide

N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide (PubChem CID 58868501) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide
PubChem CID58868501
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide
SMILESCC(=O)NCC(O)CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H17NO5/c1-10(17)16-9-12(18)6-7-20-13-4-2-11-3-5-15(19)21-14(11)8-13/h2-5,8,12,18H,6-7,9H2,1H3,(H,16,17)
InChIKeyLLICPSZDSXUCAJ-UHFFFAOYSA-N
XLogP1.06
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl] prop-2-enoate
CID 90188860
7-[(3S)-4-azido-3-hydroxybutoxy]chromen-2-one
CID 101367747
7-(2-hydroxypentoxy)chromen-2-one
CID 130287251
7-(3,7-dimethyl-5-oxooct-6-enoxy)chromen-2-one
CID 102247134
N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide
CID 87516805
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
[(2S)-2-hydroxy-2-methyl-4-(2-oxochromen-7-yl)oxybutyl] acetate
CID 58868597
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide?
The IUPAC name of N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide (CID 58868501) is N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide?
The canonical SMILES for N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide is CC(=O)NCC(O)CCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide?
The InChIKey is LLICPSZDSXUCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-10(17)16-9-12(18)6-7-20-13-4-2-11-3-5-15(19)21-14(11)8-13/h2-5,8,12,18H,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide?
N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide has a molecular weight of 291.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide is sourced from PubChem (CID 58868501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).