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

C18H19NO2 — CID 110709241

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-13-6-8-14(9-7-13)18(20)19-12-15-10-11-21-17-5-3-2-4-16(15)17/h2-9,15H,10-12H2,1H3,(H,19,20)
InChIKeyMYNILSAPXOEGNV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.29
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide (PubChem CID 110709241) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
PubChem CID110709241
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-13-6-8-14(9-7-13)18(20)19-12-15-10-11-21-17-5-3-2-4-16(15)17/h2-9,15H,10-12H2,1H3,(H,19,20)
InChIKeyMYNILSAPXOEGNV-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 124606063
5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
CID 129399359
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
CID 136515525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 126774217
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111837467
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide (CID 110709241) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide?
The InChIKey is MYNILSAPXOEGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-6-8-14(9-7-13)18(20)19-12-15-10-11-21-17-5-3-2-4-16(15)17/h2-9,15H,10-12H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 3.29, 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-4-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 110709241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).