N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide

C26H41N5O4 — CID 42733897

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
SMILESCOc1ccc(NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC(C)C)c(OC)c1
InChIInChI=1S/C26H41N5O4/c1-17(2)15-30(24(33)27-19-12-11-18(34-9)13-20(19)35-10)16-23(32)28-22-14-21(25(3,4)5)29-31(22)26(6,7)8/h11-14,17H,15-16H2,1-10H3,(H,27,33)(H,28,32)
InChIKeyOHYSRMXMGRTSAW-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.08
Rot. Bonds8

About N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide

N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide (PubChem CID 42733897) has the molecular formula C26H41N5O4 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
PubChem CID42733897
Molecular FormulaC26H41N5O4
Molecular Weight487.65 g/mol
Exact Mass487.32
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
SMILESCOc1ccc(NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC(C)C)c(OC)c1
InChIInChI=1S/C26H41N5O4/c1-17(2)15-30(24(33)27-19-12-11-18(34-9)13-20(19)35-10)16-23(32)28-22-14-21(25(3,4)5)29-31(22)26(6,7)8/h11-14,17H,15-16H2,1-10H3,(H,27,33)(H,28,32)
InChIKeyOHYSRMXMGRTSAW-UHFFFAOYSA-N
XLogP5.08
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42733896
2-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3544759
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42734072
2-[(2-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]acetamide
CID 1052803
N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 42740974
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-pentylamino]acetamide
CID 42735960
4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1052179
N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]-2-[(4-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 3988030
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4650340
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42734073
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 1056426

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide (CID 42733897) is N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide is COc1ccc(NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC(C)C)c(OC)c1.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The InChIKey is OHYSRMXMGRTSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O4/c1-17(2)15-30(24(33)27-19-12-11-18(34-9)13-20(19)35-10)16-23(32)28-22-14-21(25(3,4)5)29-31(22)26(6,7)8/h11-14,17H,15-16H2,1-10H3,(H,27,33)(H,28,32).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide has a molecular weight of 487.65 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 42733897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).