(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

C20H22N4O2 — CID 31438428

IUPAC(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-14-5-4-6-19(11-14)26-16(3)20(25)23-15(2)17-7-9-18(10-8-17)24-13-21-12-22-24/h4-13,15-16H,1-3H3,(H,23,25)/t15-,16-/m1/s1
InChIKeyOYCYZDAYHIFODV-HZPDHXFCSA-N
MW350.42 g/mol
LogP3.22
Rot. Bonds6

About (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 31438428) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
PubChem CID31438428
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-14-5-4-6-19(11-14)26-16(3)20(25)23-15(2)17-7-9-18(10-8-17)24-13-21-12-22-24/h4-13,15-16H,1-3H3,(H,23,25)/t15-,16-/m1/s1
InChIKeyOYCYZDAYHIFODV-HZPDHXFCSA-N
XLogP3.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
3-[(3-methylphenyl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 134037268
(E)-3-(3-methylphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 51197710
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
(2R)-2-but-3-enoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 95272174
(2R)-2-but-3-enoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 95272171
2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
2,3-dichloro-N-[1-oxo-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]propan-2-yl]benzamide
CID 55741370

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (CID 31438428) is (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is OYCYZDAYHIFODV-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-5-4-6-19(11-14)26-16(3)20(25)23-15(2)17-7-9-18(10-8-17)24-13-21-12-22-24/h4-13,15-16H,1-3H3,(H,23,25)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 31438428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).