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

C15H22N2O2 — CID 82175161

IUPACN-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCc1cc(C(C)N)c2c(c1)C(NC(C)=O)CCO2
InChIInChI=1S/C15H22N2O2/c1-4-11-7-12(9(2)16)15-13(8-11)14(5-6-19-15)17-10(3)18/h7-9,14H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyOWIGYPLVTHKUHU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.23
Rot. Bonds3

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

N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82175161) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82175161
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCCc1cc(C(C)N)c2c(c1)C(NC(C)=O)CCO2
InChIInChI=1S/C15H22N2O2/c1-4-11-7-12(9(2)16)15-13(8-11)14(5-6-19-15)17-10(3)18/h7-9,14H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyOWIGYPLVTHKUHU-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-ethyl-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175168
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175174
N-[8-(2-chloropropanoyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166073
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175195
N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175234
N-[8-(1-amino-2,2-dimethylpropyl)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175231
N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175236
N-[8-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174947
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038

Frequently Asked Questions

What is the IUPAC name of N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82175161) is N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide is CCc1cc(C(C)N)c2c(c1)C(NC(C)=O)CCO2.
What is the InChIKey of N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is OWIGYPLVTHKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-11-7-12(9(2)16)15-13(8-11)14(5-6-19-15)17-10(3)18/h7-9,14H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82175161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).