N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

C18H27NO3 — CID 82175174

IUPACN-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCc1cc(C(O)CC(C)C)c2c(c1)C(NC(C)=O)CCO2
InChIInChI=1S/C18H27NO3/c1-5-13-9-14-16(19-12(4)20)6-7-22-18(14)15(10-13)17(21)8-11(2)3/h9-11,16-17,21H,5-8H2,1-4H3,(H,19,20)
InChIKeyOPKGZMSSBIIFAS-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.29
Rot. Bonds5

About N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82175174) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82175174
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCc1cc(C(O)CC(C)C)c2c(c1)C(NC(C)=O)CCO2
InChIInChI=1S/C18H27NO3/c1-5-13-9-14-16(19-12(4)20)6-7-22-18(14)15(10-13)17(21)8-11(2)3/h9-11,16-17,21H,5-8H2,1-4H3,(H,19,20)
InChIKeyOPKGZMSSBIIFAS-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82175174) is N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is CCc1cc(C(O)CC(C)C)c2c(c1)C(NC(C)=O)CCO2.
What is the InChIKey of N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is OPKGZMSSBIIFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-13-9-14-16(19-12(4)20)6-7-22-18(14)15(10-13)17(21)8-11(2)3/h9-11,16-17,21H,5-8H2,1-4H3,(H,19,20).
What are the key properties of N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82175174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).