N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide

C18H27NO3 — CID 82174947

IUPACN-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCCCC(O)c1cc2c(c(C)c1C)OCCC2NC(C)=O
InChIInChI=1S/C18H27NO3/c1-5-6-7-17(21)14-10-15-16(19-13(4)20)8-9-22-18(15)12(3)11(14)2/h10,16-17,21H,5-9H2,1-4H3,(H,19,20)
InChIKeyGEUSYEUBAGLEBT-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.49
Rot. Bonds5

About N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82174947) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82174947
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCCCC(O)c1cc2c(c(C)c1C)OCCC2NC(C)=O
InChIInChI=1S/C18H27NO3/c1-5-6-7-17(21)14-10-15-16(19-13(4)20)8-9-22-18(15)12(3)11(14)2/h10,16-17,21H,5-9H2,1-4H3,(H,19,20)
InChIKeyGEUSYEUBAGLEBT-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174599
N-[6-ethyl-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175168
N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175174
N-[8-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 82175134
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161
N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175234
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[8-(2-chloroacetyl)-6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166069
N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175236

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82174947) is N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide is CCCCC(O)c1cc2c(c(C)c1C)OCCC2NC(C)=O.
What is the InChIKey of N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is GEUSYEUBAGLEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-6-7-17(21)14-10-15-16(19-13(4)20)8-9-22-18(15)12(3)11(14)2/h10,16-17,21H,5-9H2,1-4H3,(H,19,20).
What are the key properties of N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.49, 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)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82174947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).