3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide

C25H31NO4 — CID 142771428

IUPAC3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
SMILESCOCCC(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1
InChIInChI=1S/C25H31NO4/c1-28-16-15-25(27)26-20-8-10-21(11-9-20)29-22-12-14-24-19(17-22)7-13-23(30-24)18-5-3-2-4-6-18/h2-6,12,14,17,20-21,23H,7-11,13,15-16H2,1H3,(H,26,27)
InChIKeyKYWDOUZTNVTBOU-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.60
Rot. Bonds7

About 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide

3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide (PubChem CID 142771428) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
PubChem CID142771428
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
SMILESCOCCC(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1
InChIInChI=1S/C25H31NO4/c1-28-16-15-25(27)26-20-8-10-21(11-9-20)29-22-12-14-24-19(17-22)7-13-23(30-24)18-5-3-2-4-6-18/h2-6,12,14,17,20-21,23H,7-11,13,15-16H2,1H3,(H,26,27)
InChIKeyKYWDOUZTNVTBOU-UHFFFAOYSA-N
XLogP4.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
The IUPAC name of 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide (CID 142771428) is 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
The canonical SMILES for 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide is COCCC(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1.
What is the InChIKey of 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
The InChIKey is KYWDOUZTNVTBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c1-28-16-15-25(27)26-20-8-10-21(11-9-20)29-22-12-14-24-19(17-22)7-13-23(30-24)18-5-3-2-4-6-18/h2-6,12,14,17,20-21,23H,7-11,13,15-16H2,1H3,(H,26,27).
What are the key properties of 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide has a molecular weight of 409.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide is sourced from PubChem (CID 142771428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).