3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C15H20N4O2 — CID 64510103

IUPAC3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)N(C)Cc2ncn[nH]2)c1
InChIInChI=1S/C15H20N4O2/c1-11-6-12(2)8-13(7-11)21-5-4-15(20)19(3)9-14-16-10-17-18-14/h6-8,10H,4-5,9H2,1-3H3,(H,16,17,18)
InChIKeyVPNYCDKNSWTLHL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.85
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64510103) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64510103
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)N(C)Cc2ncn[nH]2)c1
InChIInChI=1S/C15H20N4O2/c1-11-6-12(2)8-13(7-11)21-5-4-15(20)19(3)9-14-16-10-17-18-14/h6-8,10H,4-5,9H2,1-3H3,(H,16,17,18)
InChIKeyVPNYCDKNSWTLHL-UHFFFAOYSA-N
XLogP1.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523
N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64517093
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
2-(4-chloro-3-methylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512799
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hept-6-ynamide
CID 103908758
2-(4-bromophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512644
3-(4-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64512641
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511666
3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 60731406

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64510103) is 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is Cc1cc(C)cc(OCCC(=O)N(C)Cc2ncn[nH]2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is VPNYCDKNSWTLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-6-12(2)8-13(7-11)21-5-4-15(20)19(3)9-14-16-10-17-18-14/h6-8,10H,4-5,9H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64510103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).