N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide

C27H34N4O3 — CID 42732546

IUPACN-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C27H34N4O3/c1-7-30(26(33)16-20-12-14-21(34-6)15-13-20)18-25(32)28-24-17-23(27(3,4)5)29-31(24)22-11-9-8-10-19(22)2/h8-15,17H,7,16,18H2,1-6H3,(H,28,32)
InChIKeyVJYWURGCNZQEAJ-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.52
Rot. Bonds8

About N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide

N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide (PubChem CID 42732546) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide
PubChem CID42732546
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C27H34N4O3/c1-7-30(26(33)16-20-12-14-21(34-6)15-13-20)18-25(32)28-24-17-23(27(3,4)5)29-31(24)22-11-9-8-10-19(22)2/h8-15,17H,7,16,18H2,1-6H3,(H,28,32)
InChIKeyVJYWURGCNZQEAJ-UHFFFAOYSA-N
XLogP4.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)acetamide
CID 42732493
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 1052243
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42735519
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 42732476
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide
CID 42733407
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 42732923
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide
CID 5140232
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 42733389
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-pentylamino]acetamide
CID 42735960
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylpentanamide
CID 42733647
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 42735561
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(4-ethylphenyl)carbamoyl-propylamino]acetamide
CID 3575002

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide (CID 42732546) is N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is VJYWURGCNZQEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-7-30(26(33)16-20-12-14-21(34-6)15-13-20)18-25(32)28-24-17-23(27(3,4)5)29-31(24)22-11-9-8-10-19(22)2/h8-15,17H,7,16,18H2,1-6H3,(H,28,32).
What are the key properties of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide?
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 462.59 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42732546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).