N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide

C18H27NO3 — CID 82174955

IUPACN-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCCC1(C)CC(NC(C)=O)c2cc(C(C)O)c(C)c(C)c2O1
InChIInChI=1S/C18H27NO3/c1-7-18(6)9-16(19-13(5)21)15-8-14(12(4)20)10(2)11(3)17(15)22-18/h8,12,16,20H,7,9H2,1-6H3,(H,19,21)
InChIKeyMNAXVQXSRXWYNA-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.49
Rot. Bonds3

About N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide

N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 82174955) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID82174955
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCCC1(C)CC(NC(C)=O)c2cc(C(C)O)c(C)c(C)c2O1
InChIInChI=1S/C18H27NO3/c1-7-18(6)9-16(19-13(5)21)15-8-14(12(4)20)10(2)11(3)17(15)22-18/h8,12,16,20H,7,9H2,1-6H3,(H,19,21)
InChIKeyMNAXVQXSRXWYNA-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 82174955) is N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide is CCC1(C)CC(NC(C)=O)c2cc(C(C)O)c(C)c(C)c2O1.
What is the InChIKey of N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is MNAXVQXSRXWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-7-18(6)9-16(19-13(5)21)15-8-14(12(4)20)10(2)11(3)17(15)22-18/h8,12,16,20H,7,9H2,1-6H3,(H,19,21).
What are the key properties of N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 82174955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).