2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

C19H26N4O2 — CID 70749985

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)C(N)c1c(C)n[nH]c1C
InChIInChI=1S/C19H26N4O2/c1-5-11-25-16-10-8-7-9-15(16)12-23(6-2)19(24)18(20)17-13(3)21-22-14(17)4/h5,7-10,18H,1,6,11-12,20H2,2-4H3,(H,21,22)
InChIKeyKQQHNKVIUUIYEZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.64
Rot. Bonds8

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (PubChem CID 70749985) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
PubChem CID70749985
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)C(N)c1c(C)n[nH]c1C
InChIInChI=1S/C19H26N4O2/c1-5-11-25-16-10-8-7-9-15(16)12-23(6-2)19(24)18(20)17-13(3)21-22-14(17)4/h5,7-10,18H,1,6,11-12,20H2,2-4H3,(H,21,22)
InChIKeyKQQHNKVIUUIYEZ-UHFFFAOYSA-N
XLogP2.64
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 50961309
(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide
CID 97132419
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46998618
(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 97129057
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46990549
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 132608817
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
CID 97156555
1,1-diethyl-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111810186
N,N-diethyl-2-(2-prop-2-enoxyanilino)acetamide
CID 54824487
bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (CID 70749985) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is C=CCOc1ccccc1CN(CC)C(=O)C(N)c1c(C)n[nH]c1C.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The InChIKey is KQQHNKVIUUIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-11-25-16-10-8-7-9-15(16)12-23(6-2)19(24)18(20)17-13(3)21-22-14(17)4/h5,7-10,18H,1,6,11-12,20H2,2-4H3,(H,21,22).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is sourced from PubChem (CID 70749985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).