N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide

C22H22N2O4 — CID 91653338

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C22H22N2O4/c25-21(20-13-18-6-1-2-7-19(18)22(26)28-20)23-14-16-4-3-5-17(12-16)15-24-8-10-27-11-9-24/h1-7,12-13H,8-11,14-15H2,(H,23,25)
InChIKeyDBYOJYFCONRFOH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.56
Rot. Bonds5

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide (PubChem CID 91653338) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
PubChem CID91653338
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C22H22N2O4/c25-21(20-13-18-6-1-2-7-19(18)22(26)28-20)23-14-16-4-3-5-17(12-16)15-24-8-10-27-11-9-24/h1-7,12-13H,8-11,14-15H2,(H,23,25)
InChIKeyDBYOJYFCONRFOH-UHFFFAOYSA-N
XLogP2.56
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 60557641
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 94134184
N-[3-(morpholin-4-ylmethyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 47793364

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide (CID 91653338) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide is O=C(NCc1cccc(CN2CCOCC2)c1)c1cc2ccccc2c(=O)o1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide?
The InChIKey is DBYOJYFCONRFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-21(20-13-18-6-1-2-7-19(18)22(26)28-20)23-14-16-4-3-5-17(12-16)15-24-8-10-27-11-9-24/h1-7,12-13H,8-11,14-15H2,(H,23,25).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 91653338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).