2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide

C15H26N4O — CID 115290762

IUPAC2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1CCCC(CCNC(=O)C(N)c2cnn(C)c2)C1
InChIInChI=1S/C15H26N4O/c1-11-4-3-5-12(8-11)6-7-17-15(20)14(16)13-9-18-19(2)10-13/h9-12,14H,3-8,16H2,1-2H3,(H,17,20)
InChIKeyYDNYJBOXRUVQKK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290762) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290762
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1CCCC(CCNC(=O)C(N)c2cnn(C)c2)C1
InChIInChI=1S/C15H26N4O/c1-11-4-3-5-12(8-11)6-7-17-15(20)14(16)13-9-18-19(2)10-13/h9-12,14H,3-8,16H2,1-2H3,(H,17,20)
InChIKeyYDNYJBOXRUVQKK-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 115290762) is 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide is CC1CCCC(CCNC(=O)C(N)c2cnn(C)c2)C1.
What is the InChIKey of 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is YDNYJBOXRUVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-4-3-5-12(8-11)6-7-17-15(20)14(16)13-9-18-19(2)10-13/h9-12,14H,3-8,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).