(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide

C22H20N4O2 — CID 97136134

IUPAC(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C22H20N4O2/c1-16(28-20-11-10-17-6-2-3-7-18(17)12-20)22(27)24-13-19-8-4-5-9-21(19)26-15-23-14-25-26/h2-12,14-16H,13H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyCYSNVZKNYPGUSK-MRXNPFEDSA-N
MW372.43 g/mol
LogP3.50
Rot. Bonds6

About (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide

(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide (PubChem CID 97136134) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
PubChem CID97136134
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C22H20N4O2/c1-16(28-20-11-10-17-6-2-3-7-18(17)12-20)22(27)24-13-19-8-4-5-9-21(19)26-15-23-14-25-26/h2-12,14-16H,13H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyCYSNVZKNYPGUSK-MRXNPFEDSA-N
XLogP3.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 91783113
2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
CID 42526249
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
2-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63069997
N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxypropanamide
CID 45147924
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide
CID 97148279
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide (CID 97136134) is (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide is C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cncn1.
What is the InChIKey of (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is CYSNVZKNYPGUSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-16(28-20-11-10-17-6-2-3-7-18(17)12-20)22(27)24-13-19-8-4-5-9-21(19)26-15-23-14-25-26/h2-12,14-16H,13H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 372.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 97136134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).