4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide

C20H30N4O2 — CID 46982979

IUPAC4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCOc1ccc(CCCC(=O)N(C)Cc2nncn2C(C)C)cc1C
InChIInChI=1S/C20H30N4O2/c1-6-26-18-11-10-17(12-16(18)4)8-7-9-20(25)23(5)13-19-22-21-14-24(19)15(2)3/h10-12,14-15H,6-9,13H2,1-5H3
InChIKeyPIQSMUGQYIVHEB-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.55
Rot. Bonds9

About 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide

4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 46982979) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID46982979
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCOc1ccc(CCCC(=O)N(C)Cc2nncn2C(C)C)cc1C
InChIInChI=1S/C20H30N4O2/c1-6-26-18-11-10-17(12-16(18)4)8-7-9-20(25)23(5)13-19-22-21-14-24(19)15(2)3/h10-12,14-15H,6-9,13H2,1-5H3
InChIKeyPIQSMUGQYIVHEB-UHFFFAOYSA-N
XLogP3.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 70725571
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
2-[4-(4-ethoxy-3-methylphenyl)butanoyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
CID 137338005
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-(4-ethoxy-3-methylphenyl)-N-methylbutanamide
CID 134700087
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
CID 115191970
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908
4-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]butan-2-one
CID 115236050
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
4-(4-ethoxy-3-methylphenyl)-1-[4-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 46991069
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide (CID 46982979) is 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide is CCOc1ccc(CCCC(=O)N(C)Cc2nncn2C(C)C)cc1C.
What is the InChIKey of 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is PIQSMUGQYIVHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-26-18-11-10-17(12-16(18)4)8-7-9-20(25)23(5)13-19-22-21-14-24(19)15(2)3/h10-12,14-15H,6-9,13H2,1-5H3.
What are the key properties of 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide?
4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 358.49 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 46982979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).