N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide

C23H30N4O2 — CID 123620842

IUPACN-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide
SMILESCCC(C(=O)Nc1cnc(Oc2ccc(C#N)cc2C(C)(C)C)nc1)C(C)(C)C
InChIInChI=1S/C23H30N4O2/c1-8-17(22(2,3)4)20(28)27-16-13-25-21(26-14-16)29-19-10-9-15(12-24)11-18(19)23(5,6)7/h9-11,13-14,17H,8H2,1-7H3,(H,27,28)
InChIKeyQDQWZRFNANCNLE-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.45
Rot. Bonds5

About N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide

N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide (PubChem CID 123620842) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide
PubChem CID123620842
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide
SMILESCCC(C(=O)Nc1cnc(Oc2ccc(C#N)cc2C(C)(C)C)nc1)C(C)(C)C
InChIInChI=1S/C23H30N4O2/c1-8-17(22(2,3)4)20(28)27-16-13-25-21(26-14-16)29-19-10-9-15(12-24)11-18(19)23(5,6)7/h9-11,13-14,17H,8H2,1-7H3,(H,27,28)
InChIKeyQDQWZRFNANCNLE-UHFFFAOYSA-N
XLogP5.45
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid
CID 118914009
tert-butyl N-[(2R)-1-[[6-[(2-tert-butyl-4-cyanophenyl)methyl]-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 130468131
2-[2-(4-cyano-2-methylphenoxy)pyrimidin-5-yl]butanamide
CID 140839818
3-tert-butyl-4-(2-methylpropoxy)benzonitrile
CID 82263936
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide
CID 146264731
N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide
CID 163916058
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459
2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
CID 77479086
1-(2-tert-butyl-4-cyanophenyl)-3-(2,2,2-trifluoroethoxy)urea
CID 154930461
3-[5-(hydroxymethyl)pyrimidin-2-yl]oxy-4-methylbenzonitrile
CID 107659015
3-tert-butyl-4-[2-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-6-fluoropyrimidin-4-yl]oxybenzonitrile
CID 167026330

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide (CID 123620842) is N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide is CCC(C(=O)Nc1cnc(Oc2ccc(C#N)cc2C(C)(C)C)nc1)C(C)(C)C.
What is the InChIKey of N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide?
The InChIKey is QDQWZRFNANCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-8-17(22(2,3)4)20(28)27-16-13-25-21(26-14-16)29-19-10-9-15(12-24)11-18(19)23(5,6)7/h9-11,13-14,17H,8H2,1-7H3,(H,27,28).
What are the key properties of N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide?
N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide has a molecular weight of 394.52 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 123620842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).