N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide

C18H19NO3 — CID 90635187

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2Cc3ccccc3CO2)c1
InChIInChI=1S/C18H19NO3/c1-21-16-8-4-7-14(10-16)18(20)19-11-17-9-13-5-2-3-6-15(13)12-22-17/h2-8,10,17H,9,11-12H2,1H3,(H,19,20)
InChIKeyJBTPKSJILCRTSG-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.57
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide (PubChem CID 90635187) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide
PubChem CID90635187
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2Cc3ccccc3CO2)c1
InChIInChI=1S/C18H19NO3/c1-21-16-8-4-7-14(10-16)18(20)19-11-17-9-13-5-2-3-6-15(13)12-22-17/h2-8,10,17H,9,11-12H2,1H3,(H,19,20)
InChIKeyJBTPKSJILCRTSG-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3,5-dimethoxybenzamide
CID 100750944
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide
CID 90635197
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
4-butoxy-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)benzamide
CID 90635191
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-methoxybenzamide
CID 110315564
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-(2-methoxyphenyl)urea
CID 90635415
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide (CID 90635187) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)NCC2Cc3ccccc3CO2)c1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide?
The InChIKey is JBTPKSJILCRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-8-4-7-14(10-16)18(20)19-11-17-9-13-5-2-3-6-15(13)12-22-17/h2-8,10,17H,9,11-12H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide has a molecular weight of 297.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 90635187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).