N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide

C17H21NO5 — CID 87516805

IUPACN-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](CO)CCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H21NO5/c1-2-16(20)18-13(11-19)4-3-9-22-14-7-5-12-6-8-17(21)23-15(12)10-14/h5-8,10,13,19H,2-4,9,11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyYAOAWUXCBXQSIJ-CYBMUJFWSA-N
MW319.36 g/mol
LogP1.84
Rot. Bonds8

About N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide

N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide (PubChem CID 87516805) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide
PubChem CID87516805
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC NameN-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](CO)CCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H21NO5/c1-2-16(20)18-13(11-19)4-3-9-22-14-7-5-12-6-8-17(21)23-15(12)10-14/h5-8,10,13,19H,2-4,9,11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyYAOAWUXCBXQSIJ-CYBMUJFWSA-N
XLogP1.84
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949
N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide
CID 58868501
7-[3,4-dihydroxy-3-(hydroxymethyl)butoxy]chromen-2-one
CID 12066855
N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882786
7-(2-hydroxypentoxy)chromen-2-one
CID 130287251
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide?
The IUPAC name of N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide (CID 87516805) is N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide is CCC(=O)N[C@@H](CO)CCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide?
The InChIKey is YAOAWUXCBXQSIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-16(20)18-13(11-19)4-3-9-22-14-7-5-12-6-8-17(21)23-15(12)10-14/h5-8,10,13,19H,2-4,9,11H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide?
N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide has a molecular weight of 319.36 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide is sourced from PubChem (CID 87516805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).