2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

C19H28N4O2 — CID 111461877

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)16-12-17(22(4)21-16)20-18(25)14-23(10-11-24)13-15-8-6-5-7-9-15/h5-9,12,24H,10-11,13-14H2,1-4H3,(H,20,25)
InChIKeyRKYWBQOOGHLHBK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.15
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (PubChem CID 111461877) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
PubChem CID111461877
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)16-12-17(22(4)21-16)20-18(25)14-23(10-11-24)13-15-8-6-5-7-9-15/h5-9,12,24H,10-11,13-14H2,1-4H3,(H,20,25)
InChIKeyRKYWBQOOGHLHBK-UHFFFAOYSA-N
XLogP2.15
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740988
2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740945
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
CID 1060840
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[butyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 42740512
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
CID 62114945
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenylacetamide
CID 4556483
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740478
(2R)-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-propan-2-ylacetamide
CID 1060774
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 62115298
2-[benzyl(butylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740989
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
CID 42740730

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (CID 111461877) is 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is Cn1nc(C(C)(C)C)cc1NC(=O)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The InChIKey is RKYWBQOOGHLHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)16-12-17(22(4)21-16)20-18(25)14-23(10-11-24)13-15-8-6-5-7-9-15/h5-9,12,24H,10-11,13-14H2,1-4H3,(H,20,25).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 111461877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).