N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide

C16H23NO3 — CID 82174655

IUPACN-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCOc2ccc(C(C)O)cc21
InChIInChI=1S/C16H23NO3/c1-10(2)8-16(19)17-14-6-7-20-15-5-4-12(11(3)18)9-13(14)15/h4-5,9-11,14,18H,6-8H2,1-3H3,(H,17,19)
InChIKeyCKSRVRFVDLCZKZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.73
Rot. Bonds4

About N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide

N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide (PubChem CID 82174655) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
PubChem CID82174655
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCOc2ccc(C(C)O)cc21
InChIInChI=1S/C16H23NO3/c1-10(2)8-16(19)17-14-6-7-20-15-5-4-12(11(3)18)9-13(14)15/h4-5,9-11,14,18H,6-8H2,1-3H3,(H,17,19)
InChIKeyCKSRVRFVDLCZKZ-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]benzamide
CID 82174716
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]ethanesulfonamide
CID 82174712
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174599
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
N-[6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174602
N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174603
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174676
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide?
The IUPAC name of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide (CID 82174655) is N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCOc2ccc(C(C)O)cc21.
What is the InChIKey of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide?
The InChIKey is CKSRVRFVDLCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)8-16(19)17-14-6-7-20-15-5-4-12(11(3)18)9-13(14)15/h4-5,9-11,14,18H,6-8H2,1-3H3,(H,17,19).
What are the key properties of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide?
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide has a molecular weight of 277.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide is sourced from PubChem (CID 82174655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).