N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide

C15H19NO2 — CID 110784247

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)C1CCC1
InChIInChI=1S/C15H19NO2/c17-15(12-3-1-4-12)16-10-11-6-7-14-13(9-11)5-2-8-18-14/h6-7,9,12H,1-5,8,10H2,(H,16,17)
InChIKeyCRTMVTAMAOKBMO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.43
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide (PubChem CID 110784247) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
PubChem CID110784247
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)C1CCC1
InChIInChI=1S/C15H19NO2/c17-15(12-3-1-4-12)16-10-11-6-7-14-13(9-11)5-2-8-18-14/h6-7,9,12H,1-5,8,10H2,(H,16,17)
InChIKeyCRTMVTAMAOKBMO-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 118792594
(1R,3R,4S)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135095524
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
(2S)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125443999
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119308776
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
CID 119307672
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280642

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide (CID 110784247) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide is O=C(NCc1ccc2c(c1)CCCO2)C1CCC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide?
The InChIKey is CRTMVTAMAOKBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(12-3-1-4-12)16-10-11-6-7-14-13(9-11)5-2-8-18-14/h6-7,9,12H,1-5,8,10H2,(H,16,17).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 110784247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).