N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide

C15H21NO2 — CID 110751142

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-4-9-15(17)16(2)13-10-11-18-14-8-6-5-7-12(13)14/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyWSRQOOZFOHZTGD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.16
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide

N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide (PubChem CID 110751142) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
PubChem CID110751142
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-4-9-15(17)16(2)13-10-11-18-14-8-6-5-7-12(13)14/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyWSRQOOZFOHZTGD-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
CID 110751156
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)heptan-4-one
CID 104771801
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
CID 110751162
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110750956

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide (CID 110751142) is N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide is CCCCC(=O)N(C)C1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide?
The InChIKey is WSRQOOZFOHZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-4-9-15(17)16(2)13-10-11-18-14-8-6-5-7-12(13)14/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide has a molecular weight of 247.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide is sourced from PubChem (CID 110751142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).