N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C16H22N2O3 — CID 106299027

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1NCCc2ccccc21
InChIInChI=1S/C16H22N2O3/c19-11-16(6-9-21-10-7-16)18-15(20)14-13-4-2-1-3-12(13)5-8-17-14/h1-4,14,17,19H,5-11H2,(H,18,20)
InChIKeyAVDOIQNMARXJAR-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.53
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 106299027) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID106299027
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1NCCc2ccccc21
InChIInChI=1S/C16H22N2O3/c19-11-16(6-9-21-10-7-16)18-15(20)14-13-4-2-1-3-12(13)5-8-17-14/h1-4,14,17,19H,5-11H2,(H,18,20)
InChIKeyAVDOIQNMARXJAR-UHFFFAOYSA-N
XLogP0.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 106299027) is N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is O=C(NC1(CO)CCOCC1)C1NCCc2ccccc21.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is AVDOIQNMARXJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-11-16(6-9-21-10-7-16)18-15(20)14-13-4-2-1-3-12(13)5-8-17-14/h1-4,14,17,19H,5-11H2,(H,18,20).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 106299027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).