N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide

C19H30N6O — CID 119526757

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide
SMILESCc1nnc(CN(C)CC(=O)NCC(N)c2ccc(C(C)C)cc2)n1C
InChIInChI=1S/C19H30N6O/c1-13(2)15-6-8-16(9-7-15)17(20)10-21-19(26)12-24(4)11-18-23-22-14(3)25(18)5/h6-9,13,17H,10-12,20H2,1-5H3,(H,21,26)
InChIKeyWBKAKYIRFDOSOB-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.49
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide (PubChem CID 119526757) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide
PubChem CID119526757
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide
SMILESCc1nnc(CN(C)CC(=O)NCC(N)c2ccc(C(C)C)cc2)n1C
InChIInChI=1S/C19H30N6O/c1-13(2)15-6-8-16(9-7-15)17(20)10-21-19(26)12-24(4)11-18-23-22-14(3)25(18)5/h6-9,13,17H,10-12,20H2,1-5H3,(H,21,26)
InChIKeyWBKAKYIRFDOSOB-UHFFFAOYSA-N
XLogP1.49
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide (CID 119526757) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide is Cc1nnc(CN(C)CC(=O)NCC(N)c2ccc(C(C)C)cc2)n1C.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide?
The InChIKey is WBKAKYIRFDOSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-13(2)15-6-8-16(9-7-15)17(20)10-21-19(26)12-24(4)11-18-23-22-14(3)25(18)5/h6-9,13,17H,10-12,20H2,1-5H3,(H,21,26).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide has a molecular weight of 358.49 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 119526757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).