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

C17H26N2O3 — CID 82175195

IUPACN-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCCc1cc(C(N)CC)c2c(c1)C(NC(=O)COC)CCO2
InChIInChI=1S/C17H26N2O3/c1-4-11-8-12(14(18)5-2)17-13(9-11)15(6-7-22-17)19-16(20)10-21-3/h8-9,14-15H,4-7,10,18H2,1-3H3,(H,19,20)
InChIKeyXDUJGCLYEJYYEJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.24
Rot. Bonds6

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

N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (PubChem CID 82175195) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
PubChem CID82175195
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCCc1cc(C(N)CC)c2c(c1)C(NC(=O)COC)CCO2
InChIInChI=1S/C17H26N2O3/c1-4-11-8-12(14(18)5-2)17-13(9-11)15(6-7-22-17)19-16(20)10-21-3/h8-9,14-15H,4-7,10,18H2,1-3H3,(H,19,20)
InChIKeyXDUJGCLYEJYYEJ-UHFFFAOYSA-N
XLogP2.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[8-(1-amino-2-methylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175138
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161
N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175049
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[6-ethyl-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175168
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175174
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[8-(2-chloropropanoyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166073
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106

Frequently Asked Questions

What is the IUPAC name of N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (CID 82175195) is N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is CCc1cc(C(N)CC)c2c(c1)C(NC(=O)COC)CCO2.
What is the InChIKey of N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The InChIKey is XDUJGCLYEJYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-11-8-12(14(18)5-2)17-13(9-11)15(6-7-22-17)19-16(20)10-21-3/h8-9,14-15H,4-7,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 82175195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).