N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide

C17H26N2O3 — CID 82174691

IUPACN-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCCC(C)C(N)c1ccc2c(c1)C(NC(=O)COC)CCO2
InChIInChI=1S/C17H26N2O3/c1-4-11(2)17(18)12-5-6-15-13(9-12)14(7-8-22-15)19-16(20)10-21-3/h5-6,9,11,14,17H,4,7-8,10,18H2,1-3H3,(H,19,20)
InChIKeyOWMOTEQGXWJJLW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds6

About N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide

N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (PubChem CID 82174691) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
PubChem CID82174691
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCCC(C)C(N)c1ccc2c(c1)C(NC(=O)COC)CCO2
InChIInChI=1S/C17H26N2O3/c1-4-11(2)17(18)12-5-6-15-13(9-12)14(7-8-22-15)19-16(20)10-21-3/h5-6,9,11,14,17H,4,7-8,10,18H2,1-3H3,(H,19,20)
InChIKeyOWMOTEQGXWJJLW-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174676
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174673
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175195
N-[8-(1-amino-2-methylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175138
N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175049
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide
CID 82176214
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (CID 82174691) is N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is CCC(C)C(N)c1ccc2c(c1)C(NC(=O)COC)CCO2.
What is the InChIKey of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The InChIKey is OWMOTEQGXWJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-11(2)17(18)12-5-6-15-13(9-12)14(7-8-22-15)19-16(20)10-21-3/h5-6,9,11,14,17H,4,7-8,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 82174691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).