N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide

C20H30N2O3 — CID 71973238

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CCOc3ccccc32)CC(C)O1
InChIInChI=1S/C20H30N2O3/c1-15-13-22(14-16(2)25-15)11-6-5-10-21-20(23)18-9-12-24-19-8-4-3-7-17(18)19/h3-4,7-8,15-16,18H,5-6,9-14H2,1-2H3,(H,21,23)
InChIKeyOORQTFXGOOOKQX-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.56
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 71973238) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID71973238
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CCOc3ccccc32)CC(C)O1
InChIInChI=1S/C20H30N2O3/c1-15-13-22(14-16(2)25-15)11-6-5-10-21-20(23)18-9-12-24-19-8-4-3-7-17(18)19/h3-4,7-8,15-16,18H,5-6,9-14H2,1-2H3,(H,21,23)
InChIKeyOORQTFXGOOOKQX-UHFFFAOYSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 71973238) is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide is CC1CN(CCCCNC(=O)C2CCOc3ccccc32)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is OORQTFXGOOOKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-13-22(14-16(2)25-15)11-6-5-10-21-20(23)18-9-12-24-19-8-4-3-7-17(18)19/h3-4,7-8,15-16,18H,5-6,9-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 71973238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).