2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide

C11H20N4O2 — CID 115289645

IUPAC2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOCCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-3-17-6-4-5-13-11(16)10(12)9-7-14-15(2)8-9/h7-8,10H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyFACQORYYSJXQGV-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.04
Rot. Bonds7

About 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289645) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289645
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOCCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-3-17-6-4-5-13-11(16)10(12)9-7-14-15(2)8-9/h7-8,10H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyFACQORYYSJXQGV-UHFFFAOYSA-N
XLogP-0.04
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289585
2-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289645) is 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide is CCOCCCNC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is FACQORYYSJXQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-17-6-4-5-13-11(16)10(12)9-7-14-15(2)8-9/h7-8,10H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 240.31 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).