N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C15H20N4O2 — CID 51075124

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCn1cncn1
InChIInChI=1S/C15H20N4O2/c1-11-4-5-14(21-3)13(8-11)12(2)18-15(20)6-7-19-10-16-9-17-19/h4-5,8-10,12H,6-7H2,1-3H3,(H,18,20)
InChIKeyZBVOTPXAXPGEQB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51075124) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID51075124
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCn1cncn1
InChIInChI=1S/C15H20N4O2/c1-11-4-5-14(21-3)13(8-11)12(2)18-15(20)6-7-19-10-16-9-17-19/h4-5,8-10,12H,6-7H2,1-3H3,(H,18,20)
InChIKeyZBVOTPXAXPGEQB-UHFFFAOYSA-N
XLogP1.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 51075124) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is COc1ccc(C)cc1C(C)NC(=O)CCn1cncn1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ZBVOTPXAXPGEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-4-5-14(21-3)13(8-11)12(2)18-15(20)6-7-19-10-16-9-17-19/h4-5,8-10,12H,6-7H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51075124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).