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

C19H21NO3 — CID 2881073

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2OCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO3/c1-2-22-16-9-7-15(8-10-16)19(21)20-13-18-17-6-4-3-5-14(17)11-12-23-18/h3-10,18H,2,11-13H2,1H3,(H,20,21)
InChIKeyHFEAEKJOGSSYDQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.13
Rot. Bonds5

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

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide (PubChem CID 2881073) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide
PubChem CID2881073
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2OCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO3/c1-2-22-16-9-7-15(8-10-16)19(21)20-13-18-17-6-4-3-5-14(17)11-12-23-18/h3-10,18H,2,11-13H2,1H3,(H,20,21)
InChIKeyHFEAEKJOGSSYDQ-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide (CID 2881073) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2OCCc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide?
The InChIKey is HFEAEKJOGSSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-16-9-7-15(8-10-16)19(21)20-13-18-17-6-4-3-5-14(17)11-12-23-18/h3-10,18H,2,11-13H2,1H3,(H,20,21).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-ethoxybenzamide has a molecular weight of 311.38 g/mol, XLogP of 3.13, 5 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-1-ylmethyl)-4-ethoxybenzamide is sourced from PubChem (CID 2881073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).