N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide

C21H24N2O3 — CID 131919078

IUPACN-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(Nc1ccccc1CN1CCOCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H24N2O3/c24-21(17-7-8-20-16(14-17)5-3-11-26-20)22-19-6-2-1-4-18(19)15-23-9-12-25-13-10-23/h1-2,4,6-8,14H,3,5,9-13,15H2,(H,22,24)
InChIKeyCFUAILQEEMYLED-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide

N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 131919078) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID131919078
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(Nc1ccccc1CN1CCOCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H24N2O3/c24-21(17-7-8-20-16(14-17)5-3-11-26-20)22-19-6-2-1-4-18(19)15-23-9-12-25-13-10-23/h1-2,4,6-8,14H,3,5,9-13,15H2,(H,22,24)
InChIKeyCFUAILQEEMYLED-UHFFFAOYSA-N
XLogP3.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 166295875
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
CID 46968974
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55900084
1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 131931531
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 118770631
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 55833777
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 131919078) is N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide is O=C(Nc1ccccc1CN1CCOCC1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is CFUAILQEEMYLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(17-7-8-20-16(14-17)5-3-11-26-20)22-19-6-2-1-4-18(19)15-23-9-12-25-13-10-23/h1-2,4,6-8,14H,3,5,9-13,15H2,(H,22,24).
What are the key properties of N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 131919078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).