N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide

C21H26N2O4 — CID 46957401

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCN(CC1OCCc2ccccc21)C(=O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C21H26N2O4/c1-22(15-20-18-5-3-2-4-16(18)8-11-26-20)21(24)19-7-6-17(27-19)14-23-9-12-25-13-10-23/h2-7,20H,8-15H2,1H3
InChIKeyLAGRTCODJGDAJK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.50
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide (PubChem CID 46957401) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide
PubChem CID46957401
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCN(CC1OCCc2ccccc21)C(=O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C21H26N2O4/c1-22(15-20-18-5-3-2-4-16(18)8-11-26-20)21(24)19-7-6-17(27-19)14-23-9-12-25-13-10-23/h2-7,20H,8-15H2,1H3
InChIKeyLAGRTCODJGDAJK-UHFFFAOYSA-N
XLogP2.50
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 95292524
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 99992781
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide
CID 2902614
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 95284325
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide
CID 138036603
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 154799227
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
CID 96998330
methyl 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]acetate
CID 62737324
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
(2R)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-(dimethylamino)-2-(4-fluorophenyl)-N-methylacetamide
CID 92606011
(3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 95273672
1-(5-bromofuran-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977069

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide (CID 46957401) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide is CN(CC1OCCc2ccccc21)C(=O)c1ccc(CN2CCOCC2)o1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is LAGRTCODJGDAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-22(15-20-18-5-3-2-4-16(18)8-11-26-20)21(24)19-7-6-17(27-19)14-23-9-12-25-13-10-23/h2-7,20H,8-15H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 46957401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).