N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

C16H23NO3 — CID 82174599

IUPACN-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCCCC(O)c1ccc2c(c1)C(NC(C)=O)CCO2
InChIInChI=1S/C16H23NO3/c1-3-4-5-15(19)12-6-7-16-13(10-12)14(8-9-20-16)17-11(2)18/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyHSPJWQJUSONJNX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.87
Rot. Bonds5

About N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82174599) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82174599
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCCCC(O)c1ccc2c(c1)C(NC(C)=O)CCO2
InChIInChI=1S/C16H23NO3/c1-3-4-5-15(19)12-6-7-16-13(10-12)14(8-9-20-16)17-11(2)18/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyHSPJWQJUSONJNX-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
N-[6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174602
N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174603
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588
N-[6-[amino(cyclohexyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174592
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174947
N-[6-[amino(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174587
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174673
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166058

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82174599) is N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is CCCCC(O)c1ccc2c(c1)C(NC(C)=O)CCO2.
What is the InChIKey of N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is HSPJWQJUSONJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-4-5-15(19)12-6-7-16-13(10-12)14(8-9-20-16)17-11(2)18/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82174599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).