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

C15H22N2O2 — CID 4051780

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)NCC1OCCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-17(2)9-7-15(18)16-11-14-13-6-4-3-5-12(13)8-10-19-14/h3-6,14H,7-11H2,1-2H3,(H,16,18)
InChIKeyMXWHFMIKSYRLDW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.37
Rot. Bonds5

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

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide (PubChem CID 4051780) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide
PubChem CID4051780
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)NCC1OCCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-17(2)9-7-15(18)16-11-14-13-6-4-3-5-12(13)8-10-19-14/h3-6,14H,7-11H2,1-2H3,(H,16,18)
InChIKeyMXWHFMIKSYRLDW-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.37
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)-3-(dimethylamino)propanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide (CID 4051780) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide is CN(C)CCC(=O)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide?
The InChIKey is MXWHFMIKSYRLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)9-7-15(18)16-11-14-13-6-4-3-5-12(13)8-10-19-14/h3-6,14H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(dimethylamino)propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.37, 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)-3-(dimethylamino)propanamide is sourced from PubChem (CID 4051780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).