(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide

C16H22N4O2 — CID 164643029

IUPAC(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN[C@@H](C(=O)NCCc1ccccc1OC)c1cnn(C)c1
InChIInChI=1S/C16H22N4O2/c1-17-15(13-10-19-20(2)11-13)16(21)18-9-8-12-6-4-5-7-14(12)22-3/h4-7,10-11,15,17H,8-9H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyNAZAGNDCNSEDHQ-OAHLLOKOSA-N
MW302.38 g/mol
LogP1.05
Rot. Bonds7

About (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide

(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 164643029) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID164643029
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN[C@@H](C(=O)NCCc1ccccc1OC)c1cnn(C)c1
InChIInChI=1S/C16H22N4O2/c1-17-15(13-10-19-20(2)11-13)16(21)18-9-8-12-6-4-5-7-14(12)22-3/h4-7,10-11,15,17H,8-9H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyNAZAGNDCNSEDHQ-OAHLLOKOSA-N
XLogP1.05
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide (CID 164643029) is (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide is CN[C@@H](C(=O)NCCc1ccccc1OC)c1cnn(C)c1.
What is the InChIKey of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is NAZAGNDCNSEDHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-17-15(13-10-19-20(2)11-13)16(21)18-9-8-12-6-4-5-7-14(12)22-3/h4-7,10-11,15,17H,8-9H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide?
(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 164643029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).