N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C20H26N4O3 — CID 70753620

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1nncn1C1CCCCC1)C2
InChIInChI=1S/C20H26N4O3/c1-26-17-9-5-6-14-10-15(12-27-19(14)17)20(25)21-11-18-23-22-13-24(18)16-7-3-2-4-8-16/h5-6,9,13,15-16H,2-4,7-8,10-12H2,1H3,(H,21,25)
InChIKeyRFSUVPXAGNFXSH-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.66
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 70753620) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID70753620
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1nncn1C1CCCCC1)C2
InChIInChI=1S/C20H26N4O3/c1-26-17-9-5-6-14-10-15(12-27-19(14)17)20(25)21-11-18-23-22-13-24(18)16-7-3-2-4-8-16/h5-6,9,13,15-16H,2-4,7-8,10-12H2,1H3,(H,21,25)
InChIKeyRFSUVPXAGNFXSH-UHFFFAOYSA-N
XLogP2.66
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 70753620) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NCc1nncn1C1CCCCC1)C2.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is RFSUVPXAGNFXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-9-5-6-14-10-15(12-27-19(14)17)20(25)21-11-18-23-22-13-24(18)16-7-3-2-4-8-16/h5-6,9,13,15-16H,2-4,7-8,10-12H2,1H3,(H,21,25).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 70753620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).