(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C20H22N2O3 — CID 25413455

IUPAC(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1COc2ccccc2C1
InChIInChI=1S/C20H22N2O3/c23-20(16-13-15-3-1-2-4-19(15)25-14-16)21-17-5-7-18(8-6-17)22-9-11-24-12-10-22/h1-8,16H,9-14H2,(H,21,23)/t16-/m1/s1
InChIKeyCQHNMAFHLNTEHG-MRXNPFEDSA-N
MW338.41 g/mol
LogP2.71
Rot. Bonds3

About (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 25413455) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID25413455
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1COc2ccccc2C1
InChIInChI=1S/C20H22N2O3/c23-20(16-13-15-3-1-2-4-19(15)25-14-16)21-17-5-7-18(8-6-17)22-9-11-24-12-10-22/h1-8,16H,9-14H2,(H,21,23)/t16-/m1/s1
InChIKeyCQHNMAFHLNTEHG-MRXNPFEDSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24512634
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
N-[4-(propan-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041063
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 25413455) is (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CQHNMAFHLNTEHG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(16-13-15-3-1-2-4-19(15)25-14-16)21-17-5-7-18(8-6-17)22-9-11-24-12-10-22/h1-8,16H,9-14H2,(H,21,23)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 25413455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).