N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide

C17H24N2O3 — CID 82174797

IUPACN-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2c(C)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C17H24N2O3/c1-10-8-12(16(18)15-4-3-6-21-15)9-13-14(19-11(2)20)5-7-22-17(10)13/h8-9,14-16H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyGZSUSBPAGNZFIY-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds3

About N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82174797) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82174797
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2c(C)cc(C(N)C3CCCO3)cc21
InChIInChI=1S/C17H24N2O3/c1-10-8-12(16(18)15-4-3-6-21-15)9-13-14(19-11(2)20)5-7-22-17(10)13/h8-9,14-16H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyGZSUSBPAGNZFIY-UHFFFAOYSA-N
XLogP2.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[amino(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174587
N-[6-(1-hydroxy-2,2-dimethylpropyl)-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174806
N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174603
N-[6-[amino(cyclohexyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174592
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161
N-[8-(2-chloroacetyl)-6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166069
N-[8-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
N-[8-(1-amino-2,2-dimethylpropyl)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175231
N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174880
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175234
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588

Frequently Asked Questions

What is the IUPAC name of N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82174797) is N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2c(C)cc(C(N)C3CCCO3)cc21.
What is the InChIKey of N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is GZSUSBPAGNZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-10-8-12(16(18)15-4-3-6-21-15)9-13-14(19-11(2)20)5-7-22-17(10)13/h8-9,14-16H,3-7,18H2,1-2H3,(H,19,20).
What are the key properties of N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82174797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).