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

C19H21NO2 — CID 2969719

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1OCCc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(11-10-15-6-2-1-3-7-15)20-14-18-17-9-5-4-8-16(17)12-13-22-18/h1-9,18H,10-14H2,(H,20,21)
InChIKeyKTIAZEWHQOUCNY-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.05
Rot. Bonds5

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

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide (PubChem CID 2969719) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
PubChem CID2969719
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1OCCc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(11-10-15-6-2-1-3-7-15)20-14-18-17-9-5-4-8-16(17)12-13-22-18/h1-9,18H,10-14H2,(H,20,21)
InChIKeyKTIAZEWHQOUCNY-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide (CID 2969719) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide?
The InChIKey is KTIAZEWHQOUCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(11-10-15-6-2-1-3-7-15)20-14-18-17-9-5-4-8-16(17)12-13-22-18/h1-9,18H,10-14H2,(H,20,21).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 2969719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).