2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide

C15H28N4O — CID 115290422

IUPAC2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CCCCCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C15H28N4O/c1-12(2)8-6-4-5-7-9-17-15(20)14(16)13-10-18-19(3)11-13/h10-12,14H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyWFECYSKPZCVQDS-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.14
Rot. Bonds9

About 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290422) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290422
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CCCCCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C15H28N4O/c1-12(2)8-6-4-5-7-9-17-15(20)14(16)13-10-18-19(3)11-13/h10-12,14H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyWFECYSKPZCVQDS-UHFFFAOYSA-N
XLogP2.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
1-amino-6-methyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116604936
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290395
2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290976

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115290422) is 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide is CC(C)CCCCCCNC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is WFECYSKPZCVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)8-6-4-5-7-9-17-15(20)14(16)13-10-18-19(3)11-13/h10-12,14H,4-9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 280.42 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).